 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer07_STD_wB97XD_augccpVDZ.in
 Output=10_L-serine_conformer07_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-35243.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     35253.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer07_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer07_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.290730000000      0.712663000000      0.358259000000
  C                                                -0.059673000000      0.650207000000     -0.359706000000
  C                                                -0.852428000000     -0.631020000000     -0.023937000000
  O                                                -0.170827000000     -1.783936000000     -0.115771000000
  O                                                 2.106421000000     -0.370921000000     -0.116056000000
  N                                                -0.796184000000      1.869755000000     -0.086038000000
  O                                                -2.012397000000     -0.611288000000      0.285099000000
  H                                                 0.160738000000      0.608893000000     -1.431500000000
  H                                                 1.753555000000      1.672222000000      0.125488000000
  H                                                 1.147859000000      0.642089000000      1.441905000000
  H                                                 0.778104000000     -1.587327000000     -0.255792000000
  H                                                -1.294207000000      1.773751000000      0.793150000000
  H                                                -1.516728000000      1.999402000000     -0.785323000000
  H                                                 2.886618000000     -0.459251000000      0.440467000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530674   0.000000
     3  C    2.558258   1.543614   0.000000
     4  O    2.931529   2.448859   1.342471   0.000000
     5  O    1.436830   2.407079   2.971687   2.680013   0.000000
     6  N    2.427235   1.450738   2.502178   3.706941   3.666967
     7  O    3.559332   2.412524   1.200592   2.219725   4.145282
     8  H    2.119171   1.095002   2.131929   2.750765   2.544820
     9  H    1.090478   2.137223   3.481149   3.963140   2.087413
    10  H    1.095300   2.168871   2.787588   3.170313   2.090998
    11  H    2.435118   2.391491   1.904446   0.979148   1.806542
    12  H    2.827886   2.028670   2.577930   3.839955   4.121959
    13  H    3.293220   2.030883   2.817822   4.071044   4.381045
    14  H    1.981666   3.248354   3.771689   3.378189   0.962407
                    6          7          8          9         10
     6  N    0.000000
     7  O    2.787919   0.000000
     8  H    2.077436   3.026230   0.000000
     9  H    2.566112   4.407073   2.468187   0.000000
    10  H    2.760630   3.591152   3.038415   1.777919   0.000000
    11  H    3.802449   3.005347   2.566479   3.423673   2.826515
    12  H    1.014995   2.542110   2.902211   3.121688   2.768615
    13  H    1.012419   2.864820   2.272653   3.410480   3.728655
    14  H    4.389135   4.903835   3.474998   2.434383   2.288910
                   11         12         13         14
    11  H    0.000000
    12  H    4.085535   0.000000
    13  H    4.290837   1.609972   0.000000
    14  H    2.490615   4.752892   5.190086   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.49D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.290730    0.712663    0.358259
      2          6           0       -0.059673    0.650207   -0.359706
      3          6           0       -0.852428   -0.631020   -0.023937
      4          8           0       -0.170827   -1.783936   -0.115771
      5          8           0        2.106421   -0.370921   -0.116056
      6          7           0       -0.796184    1.869755   -0.086038
      7          8           0       -2.012397   -0.611288    0.285099
      8          1           0        0.160738    0.608893   -1.431500
      9          1           0        1.753555    1.672222    0.125488
     10          1           0        1.147859    0.642089    1.441905
     11          1           0        0.778104   -1.587327   -0.255792
     12          1           0       -1.294207    1.773751    0.793150
     13          1           0       -1.516728    1.999402   -0.785323
     14          1           0        2.886618   -0.459251    0.440467
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4231422           2.5009554           1.5382060
 Leave Link  202 at Thu Aug 12 22:03:36 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       326.5886488201 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0065826539 Hartrees.
 Nuclear repulsion after empirical dispersion term =      326.5820661662 Hartrees.
 Leave Link  301 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:              11.2 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  2.06D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer07_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:03:38 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368591572 LenY=  5368534487
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.899106707297    
 DIIS: error= 2.74D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.899106707297     IErMin= 1 ErrMin= 2.74D-03
 ErrMax= 2.74D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.38D-03 BMatP= 6.38D-03
 IDIUse=3 WtCom= 9.73D-01 WtEn= 2.74D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.418 Goal=   None    Shift=    0.000
 GapD=    0.418 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.78D-03 MaxDP=2.40D-01              OVMax= 1.68D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.71D-03    CP:  9.62D-01
 E= -398.904651663781     Delta-E=       -0.005544956484 Rises=F Damp=F
 DIIS: error= 3.95D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.904651663781     IErMin= 2 ErrMin= 3.95D-04
 ErrMax= 3.95D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-04 BMatP= 6.38D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.95D-03
 Coeff-Com: -0.394D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.392D-01 0.104D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=1.20D-03 MaxDP=4.59D-02 DE=-5.54D-03 OVMax= 5.66D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.78D-04    CP:  9.53D-01  1.14D+00
 E= -398.904809603523     Delta-E=       -0.000157939741 Rises=F Damp=F
 DIIS: error= 3.39D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.904809603523     IErMin= 3 ErrMin= 3.39D-04
 ErrMax= 3.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-04 BMatP= 1.60D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.39D-03
 Coeff-Com: -0.460D-01 0.522D+00 0.524D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.458D-01 0.521D+00 0.525D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.58D-04 MaxDP=6.10D-03 DE=-1.58D-04 OVMax= 1.76D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.94D-05    CP:  9.51D-01  1.16D+00  1.13D+00
 E= -398.904909564576     Delta-E=       -0.000099961053 Rises=F Damp=F
 DIIS: error= 5.26D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.904909564576     IErMin= 4 ErrMin= 5.26D-05
 ErrMax= 5.26D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.95D-06 BMatP= 1.44D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-02-0.387D-01 0.670D-01 0.973D+00
 Coeff:     -0.171D-02-0.387D-01 0.670D-01 0.973D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.32D-04 MaxDP=7.50D-03 DE=-1.00D-04 OVMax= 1.06D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.65D-05    CP:  9.50D-01  1.16D+00  1.29D+00  1.20D+00
 E= -398.904914091553     Delta-E=       -0.000004526977 Rises=F Damp=F
 DIIS: error= 3.56D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.904914091553     IErMin= 5 ErrMin= 3.56D-05
 ErrMax= 3.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-06 BMatP= 2.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.333D-02-0.646D-01-0.173D-01 0.462D+00 0.616D+00
 Coeff:      0.333D-02-0.646D-01-0.173D-01 0.462D+00 0.616D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.72D-05 MaxDP=1.55D-03 DE=-4.53D-06 OVMax= 2.99D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.02D-05    CP:  9.50D-01  1.17D+00  1.32D+00  1.30D+00  1.11D+00
 E= -398.904915034120     Delta-E=       -0.000000942567 Rises=F Damp=F
 DIIS: error= 1.22D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.904915034120     IErMin= 6 ErrMin= 1.22D-05
 ErrMax= 1.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-07 BMatP= 1.01D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.173D-02-0.250D-01-0.148D-01 0.101D+00 0.279D+00 0.658D+00
 Coeff:      0.173D-02-0.250D-01-0.148D-01 0.101D+00 0.279D+00 0.658D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=6.99D-06 MaxDP=4.42D-04 DE=-9.43D-07 OVMax= 1.11D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.79D-06    CP:  9.50D-01  1.17D+00  1.33D+00  1.32D+00  1.20D+00
                    CP:  1.15D+00
 E= -398.904915137581     Delta-E=       -0.000000103461 Rises=F Damp=F
 DIIS: error= 3.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.904915137581     IErMin= 7 ErrMin= 3.00D-06
 ErrMax= 3.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-08 BMatP= 1.11D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.863D-05 0.278D-02-0.129D-02-0.503D-01-0.132D-01 0.238D+00
 Coeff-Com:  0.824D+00
 Coeff:      0.863D-05 0.278D-02-0.129D-02-0.503D-01-0.132D-01 0.238D+00
 Coeff:      0.824D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.67D-06 MaxDP=1.24D-04 DE=-1.03D-07 OVMax= 6.33D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  9.50D-01  1.17D+00  1.33D+00  1.33D+00  1.24D+00
                    CP:  1.23D+00  1.09D+00
 E= -398.904915154110     Delta-E=       -0.000000016529 Rises=F Damp=F
 DIIS: error= 6.42D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.904915154110     IErMin= 8 ErrMin= 6.42D-07
 ErrMax= 6.42D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-10 BMatP= 1.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-03 0.220D-02 0.920D-03-0.171D-01-0.212D-01-0.450D-02
 Coeff-Com:  0.162D+00 0.878D+00
 Coeff:     -0.107D-03 0.220D-02 0.920D-03-0.171D-01-0.212D-01-0.450D-02
 Coeff:      0.162D+00 0.878D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.44D-07 MaxDP=3.34D-05 DE=-1.65D-08 OVMax= 1.75D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.21D-07    CP:  9.50D-01  1.17D+00  1.33D+00  1.33D+00  1.25D+00
                    CP:  1.24D+00  1.16D+00  1.18D+00
 E= -398.904915154984     Delta-E=       -0.000000000873 Rises=F Damp=F
 DIIS: error= 2.95D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.904915154984     IErMin= 9 ErrMin= 2.95D-07
 ErrMax= 2.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-10 BMatP= 5.19D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.415D-04 0.596D-03 0.474D-03-0.216D-02-0.652D-02-0.236D-01
 Coeff-Com: -0.576D-02 0.343D+00 0.694D+00
 Coeff:     -0.415D-04 0.596D-03 0.474D-03-0.216D-02-0.652D-02-0.236D-01
 Coeff:     -0.576D-02 0.343D+00 0.694D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.70D-07 MaxDP=1.27D-05 DE=-8.73D-10 OVMax= 5.17D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.98D-08    CP:  9.50D-01  1.17D+00  1.33D+00  1.32D+00  1.24D+00
                    CP:  1.24D+00  1.17D+00  1.25D+00  1.06D+00
 E= -398.904915155107     Delta-E=       -0.000000000123 Rises=F Damp=F
 DIIS: error= 1.17D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.904915155107     IErMin=10 ErrMin= 1.17D-07
 ErrMax= 1.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.16D-11 BMatP= 1.03D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.191D-05-0.132D-03 0.607D-05 0.189D-02 0.111D-02-0.872D-02
 Coeff-Com: -0.262D-01-0.133D-01 0.224D+00 0.822D+00
 Coeff:      0.191D-05-0.132D-03 0.607D-05 0.189D-02 0.111D-02-0.872D-02
 Coeff:     -0.262D-01-0.133D-01 0.224D+00 0.822D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.23D-07 MaxDP=7.31D-06 DE=-1.23D-10 OVMax= 2.67D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.56D-08    CP:  9.50D-01  1.17D+00  1.33D+00  1.32D+00  1.24D+00
                    CP:  1.24D+00  1.17D+00  1.28D+00  1.15D+00  1.21D+00
 E= -398.904915155131     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 3.21D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.904915155131     IErMin=11 ErrMin= 3.21D-08
 ErrMax= 3.21D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-12 BMatP= 1.16D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.533D-05-0.119D-03-0.559D-04 0.102D-02 0.127D-02-0.752D-03
 Coeff-Com: -0.924D-02-0.449D-01-0.819D-03 0.297D+00 0.756D+00
 Coeff:      0.533D-05-0.119D-03-0.559D-04 0.102D-02 0.127D-02-0.752D-03
 Coeff:     -0.924D-02-0.449D-01-0.819D-03 0.297D+00 0.756D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=3.35D-08 MaxDP=2.00D-06 DE=-2.46D-11 OVMax= 9.08D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.26D-08    CP:  9.50D-01  1.17D+00  1.33D+00  1.32D+00  1.24D+00
                    CP:  1.24D+00  1.17D+00  1.28D+00  1.17D+00  1.29D+00
                    CP:  1.13D+00
 E= -398.904915155136     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 1.26D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.904915155136     IErMin=12 ErrMin= 1.26D-08
 ErrMax= 1.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-13 BMatP= 1.45D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-05-0.150D-04-0.158D-04 0.401D-04 0.187D-03 0.622D-03
 Coeff-Com:  0.492D-03-0.676D-02-0.217D-01-0.207D-01 0.172D+00 0.875D+00
 Coeff:      0.120D-05-0.150D-04-0.158D-04 0.401D-04 0.187D-03 0.622D-03
 Coeff:      0.492D-03-0.676D-02-0.217D-01-0.207D-01 0.172D+00 0.875D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.22D-09 MaxDP=3.11D-07 DE=-4.55D-12 OVMax= 3.24D-07

 SCF Done:  E(RwB97XD) =  -398.904915155     A.U. after   12 cycles
            NFock= 12  Conv=0.72D-08     -V/T= 2.0060
 KE= 3.965405361021D+02 PE=-1.588499136141D+03 EE= 4.664716187176D+02
 Leave Link  502 at Thu Aug 12 22:04:30 2021, MaxMem=  5368709120 cpu:             413.9 elap:              52.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.44526886D+02

 Leave Link  801 at Thu Aug 12 22:04:30 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4334 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.52D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.84D-01 7.01D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.91D-02 3.62D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 1.79D-03 9.22D-03.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 8.22D-05 1.67D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 1.98D-06 1.97D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 5.50D-08 3.52D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 1.16D-09 5.67D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 2.54D-11 7.51D-07.
      8 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 4.27D-13 1.23D-07.
      1 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 6.71D-15 1.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.686703D+02
      2 -0.201103D+01  0.628613D+02
      3 -0.103937D+01  0.648123D+00  0.484729D+02
 Isotropic polarizability for W=    0.088559       60.00 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.127030D+01 -0.242090D+02  0.924242D+01
      2   0.153474D+01  0.390548D+02 -0.801397D+01
      3  -0.280504D+01 -0.148458D+02 -0.122845D+01
      4   0.159568D+02  0.278004D+01  0.758177D+01
      5   0.126953D+02  0.386123D+01  0.753712D+01
      6   0.692943D+01 -0.135621D+01  0.312912D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.363348D+01 -0.185430D+01 -0.171068D+02
      2   0.505930D+01  0.133668D+01  0.376353D+01
      3   0.105829D+02 -0.199819D+00  0.162397D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.372054D+01  0.665776D+01 -0.461370D+02
      2  -0.345291D+01  0.652340D+00  0.103422D+02
      3   0.401658D+02 -0.124530D+01  0.306820D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.550191D+00 -0.400645D+00  0.884567D+00
      2  -0.400645D+00 -0.841670D+00  0.246180D+00
      3   0.884567D+00  0.246180D+00 -0.381353D+00
 OR G Eigenvalues:    -1.3069    -0.4750     1.1091  Iso=     0.2243
 Eigenvectors:
   (1)   0.429057   0.682568  -0.591618
   (2)  -0.268431   0.721728   0.638007
   (3)   0.862470  -0.114933   0.492885
 w=    0.088559 a.u., Optical Rotation Beta=      0.2243 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      108.21 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 6.34D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.79D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.66D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.57D-02 4.04D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 1.38D-03 7.96D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 1.54D-05 7.20D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 2.31D-07 4.73D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 2.20D-09 4.08D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 1.42D-11 3.76D-07.
     28 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 7.40D-14 2.53D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   238 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.52D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.52D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.29D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.686703D+02 -0.201103D+01 -0.103937D+01
      2  -0.201103D+01  0.628613D+02  0.648123D+00
      3  -0.103937D+01  0.648123D+00  0.484729D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.363348D+01 -0.185430D+01 -0.171068D+02
      2   0.505930D+01  0.133668D+01  0.376353D+01
      3   0.105829D+02 -0.199819D+00  0.162397D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.127030D+01 -0.242090D+02  0.924242D+01
      2   0.153474D+01  0.390548D+02 -0.801397D+01
      3  -0.280504D+01 -0.148458D+02 -0.122845D+01
      4   0.159568D+02  0.278004D+01  0.758177D+01
      5   0.126953D+02  0.386123D+01  0.753712D+01
      6   0.692943D+01 -0.135621D+01  0.312912D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.277270D+01  0.112201D+01  0.177322D+01  0.685126D+00 -0.483041D+01
      2   0.112201D+01 -0.276988D+01  0.269976D+00 -0.483041D+01 -0.346099D+01
      3   0.177322D+01  0.269976D+00  0.164013D+01 -0.113696D+00  0.115973D+01
                 6             7             8             9            10 
      1  -0.113696D+00  0.279026D+01  0.563594D-01  0.986525D+00 -0.439014D+01
      2   0.115973D+01  0.563594D-01  0.215005D+01 -0.281151D+00  0.148559D+00
      3   0.952047D-01  0.986525D+00 -0.281151D+00 -0.687509D+01 -0.105054D+01
                11            12            13            14            15 
      1   0.148559D+00 -0.105054D+01 -0.155889D+01  0.333100D+01  0.319050D+00
      2   0.395053D+01  0.539303D-01  0.333100D+01  0.376286D+01 -0.148409D+00
      3   0.539303D-01 -0.180858D+01  0.319050D+00 -0.148409D+00  0.518047D+00
                16            17            18            19            20 
      1  -0.150153D+01 -0.277295D-01 -0.191356D+01  0.772255D+01  0.303541D+00
      2  -0.277295D-01 -0.147883D+01  0.620400D-01  0.303541D+00 -0.195802D+01
      3  -0.191356D+01  0.620400D-01  0.647067D+01 -0.141483D+01 -0.462244D+00
                21            22            23            24            25 
      1  -0.141483D+01  0.173623D+00 -0.304734D+01 -0.317120D+00 -0.184350D+01
      2  -0.462244D+00 -0.304734D+01 -0.211612D+01  0.312140D+00 -0.318256D+00
      3   0.875223D+00 -0.317120D+00  0.312140D+00 -0.584132D+00  0.845024D+00
                26            27            28            29            30 
      1  -0.318256D+00  0.845024D+00 -0.446499D+01 -0.292013D+01  0.326084D+00
      2   0.629612D+00 -0.431227D+00 -0.292013D+01 -0.241964D+00 -0.109471D+00
      3  -0.431227D+00 -0.119379D+01  0.326084D+00 -0.109471D+00  0.125768D+00
                31            32            33            34            35 
      1  -0.139803D+01  0.182548D+01 -0.940675D-01  0.851755D+00  0.268397D-01
      2   0.182548D+01 -0.816443D+01 -0.521205D+00  0.268397D-01  0.147973D+00
      3  -0.940675D-01 -0.521205D+00 -0.111957D+01  0.510719D+00 -0.188204D+01
                36            37            38            39            40 
      1   0.510719D+00 -0.211614D+01 -0.124107D+01 -0.277572D+01 -0.193282D+01
      2  -0.188204D+01 -0.124107D+01  0.793544D-01  0.442389D+00  0.214570D+01
      3  -0.279281D+00 -0.277572D+01  0.442389D+00 -0.961303D+00  0.406721D+00
                41            42            43            44            45 
      1   0.214570D+01  0.406721D+00 -0.531886D+01  0.125852D+01 -0.305061D+00
      2  -0.240466D+01 -0.925129D+00  0.125852D+01 -0.162838D+01 -0.620602D+00
      3  -0.925129D+00 -0.903460D-01 -0.305061D+00 -0.620602D+00 -0.160870D+01
                46            47            48            49            50 
      1   0.327866D+01 -0.521500D+00  0.100718D+01  0.470666D+00 -0.197306D+01
      2  -0.521500D+00 -0.896634D+00 -0.252894D+00 -0.197306D+01  0.470232D+01
      3   0.100718D+01 -0.252894D+00  0.366673D+01 -0.653899D+00  0.117620D+00
                51            52            53            54            55 
      1  -0.653899D+00  0.150359D+01 -0.633408D+00  0.360339D+01 -0.144448D+02
      2   0.117620D+00 -0.633408D+00 -0.944162D-02  0.790598D+00 -0.884773D+00
      3   0.526677D+00  0.360339D+01  0.790598D+00 -0.176571D+01  0.176710D+01
                56            57            58            59            60 
      1  -0.884773D+00  0.176710D+01 -0.108549D+01 -0.223422D+01  0.252984D+00
      2  -0.305623D+01  0.222236D+00 -0.223422D+01 -0.165724D-01  0.495597D+00
      3   0.222236D+00 -0.244444D+01  0.252984D+00  0.495597D+00  0.233140D+00
                61            62            63            64            65 
      1   0.241068D+01  0.369024D+00 -0.350965D+01  0.167408D+01  0.274548D+00
      2   0.369024D+00  0.890964D+00 -0.257652D+00  0.274548D+00 -0.334043D+00
      3  -0.350965D+01 -0.257652D+00  0.216828D+01 -0.102034D+01 -0.183437D-01
                66            67            68            69            70 
      1  -0.102034D+01  0.138387D+00 -0.363712D+00 -0.337325D-01 -0.169549D+01
      2  -0.183437D-01 -0.363712D+00  0.922607D-01 -0.112398D+01 -0.551268D-02
      3   0.142244D+01 -0.337325D-01 -0.112398D+01 -0.326543D-01  0.115232D+01
                71            72            73            74            75 
      1  -0.551268D-02  0.115232D+01  0.228963D+01  0.200001D+01 -0.514848D+00
      2  -0.159337D+01  0.398320D+00  0.200001D+01  0.249412D+01 -0.142833D+00
      3   0.398320D+00 -0.825735D+01 -0.514848D+00 -0.142833D+00  0.439722D+00
                76            77            78            79            80 
      1   0.304771D+01  0.307643D+01 -0.163253D-01 -0.117139D+01 -0.396440D+00
      2   0.307643D+01  0.705965D+01 -0.485326D+00 -0.396440D+00 -0.136442D+01
      3  -0.163253D-01 -0.485326D+00  0.949395D+00  0.513097D+00  0.110943D+01
                81            82            83            84            85 
      1   0.513097D+00 -0.646020D+00  0.149045D+00  0.887501D+00 -0.258771D+00
      2   0.110943D+01  0.149045D+00  0.203571D+00 -0.224409D+00  0.452882D+00
      3   0.213267D+00  0.887501D+00 -0.224409D+00 -0.114327D+01 -0.566237D-01
                86            87            88            89            90 
      1   0.452882D+00 -0.566237D-01  0.167695D+01 -0.220363D+00  0.406748D+00
      2   0.347556D+00  0.976019D+00 -0.220363D+00  0.122133D+01  0.631907D+00
      3   0.976019D+00 -0.273971D+00  0.406748D+00  0.631907D+00  0.849997D+01
                91            92            93            94            95 
      1   0.666382D+01  0.767971D+00 -0.225963D+00  0.929341D+00  0.111686D+01
      2   0.767971D+00  0.273526D+01  0.217312D+00  0.111686D+01 -0.818203D+00
      3  -0.225963D+00  0.217312D+00  0.677034D+00  0.125895D+00 -0.108617D+00
                96            97            98            99           100 
      1   0.125895D+00 -0.756655D+00  0.154898D+00  0.447319D+00 -0.200821D+01
      2  -0.108617D+00  0.154898D+00 -0.322949D+00 -0.561269D+00  0.766469D+00
      3  -0.516629D+00  0.447319D+00 -0.561269D+00 -0.432223D+00  0.143450D+01
               101           102           103           104           105 
      1   0.766469D+00  0.143450D+01  0.470365D+00 -0.195239D-01 -0.153876D+00
      2  -0.633854D+00 -0.437766D+00 -0.195239D-01  0.660595D+00  0.155631D+00
      3  -0.437766D+00 -0.206018D+01 -0.153876D+00  0.155631D+00 -0.162271D+00
               106           107           108           109           110 
      1   0.242881D+01 -0.490558D+00 -0.229336D+01 -0.448695D+01  0.180009D+01
      2  -0.490558D+00  0.171271D+01  0.609686D+00  0.180009D+01 -0.106114D+01
      3  -0.229336D+01  0.609686D+00  0.452045D+01 -0.218473D+01  0.811792D+00
               111           112           113           114           115 
      1  -0.218473D+01  0.165899D+01 -0.566209D+00  0.698048D+00 -0.342768D+01
      2   0.811792D+00 -0.566209D+00  0.136572D+01 -0.295088D+00  0.106111D+01
      3  -0.216328D+01  0.698048D+00 -0.295088D+00  0.736877D+00 -0.254134D+01
               116           117           118           119           120 
      1   0.106111D+01 -0.254134D+01  0.815583D+01 -0.176477D+01  0.199139D+01
      2  -0.132498D+01  0.931326D+00 -0.176477D+01  0.148892D+01 -0.369674D+00
      3   0.931326D+00 -0.281371D+01  0.199139D+01 -0.369674D+00  0.173401D+01
               121           122           123           124           125 
      1  -0.134021D+01  0.108612D+01 -0.363358D+00  0.405307D+01 -0.834486D+00
      2   0.108612D+01 -0.100998D+01  0.391019D+00 -0.834486D+00  0.969722D+00
      3  -0.363358D+00  0.391019D+00 -0.279768D+00  0.209783D+01 -0.499364D+00
               126 
      1   0.209783D+01
      2  -0.499364D+00
      3   0.135322D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.252374D+01 -0.296820D+01 -0.309858D+01 -0.356387D+01 -0.291776D+01
      2   0.444485D+01  0.376449D+00  0.269334D+01 -0.112198D+01  0.345529D+01
      3   0.309346D+01  0.564004D+01  0.121010D+01  0.784103D+01 -0.368196D+01
                 6             7             8             9            10 
      1   0.232635D-01 -0.159593D+01  0.276901D+01  0.750473D+01  0.251124D+01
      2   0.129180D+01 -0.228067D+01 -0.561792D+00 -0.750217D+01 -0.136535D+01
      3  -0.100616D+01  0.283775D+01 -0.234775D+01  0.166423D+01 -0.916879D+00
                11            12            13            14            15 
      1  -0.165340D+01 -0.319207D+00 -0.218901D+01 -0.219290D+01 -0.251856D+01
      2  -0.187522D+00  0.114838D+01  0.658608D-01  0.652994D+00  0.169195D+01
      3  -0.367538D+01 -0.984692D+00  0.112671D+01  0.186159D+01  0.977503D+00
                16            17            18            19            20 
      1   0.155938D+01  0.453596D+01 -0.240160D+01 -0.165886D+01  0.764792D+01
      2  -0.455551D+01 -0.427571D+00 -0.806053D-01 -0.268777D+01 -0.176943D+01
      3  -0.186212D+01  0.178453D+00 -0.150217D+01 -0.520804D+01  0.101769D+01
                21            22            23            24            25 
      1   0.251216D+00  0.313648D+01  0.448744D+01  0.556693D+01  0.283000D+01
      2  -0.887332D+01 -0.161305D+01 -0.761350D+00  0.451290D+00 -0.116633D+02
      3   0.130665D+01  0.288472D+01  0.379431D+00 -0.204300D+01  0.204970D+01
                26            27            28            29            30 
      1   0.168411D+02 -0.153911D+01  0.114038D+01 -0.161133D+01 -0.450751D-01
      2  -0.375783D+01  0.511653D+01 -0.187217D+01 -0.245186D+00  0.340891D+01
      3  -0.528504D+01 -0.624909D+00  0.148982D+02  0.281336D+01 -0.757542D+00
                31            32            33            34            35 
      1   0.352655D+00  0.104868D+01 -0.776630D+01 -0.730045D+00 -0.387550D+01
      2  -0.477715D+00  0.127352D+00 -0.178655D+01 -0.202217D+01  0.234823D+01
      3   0.118502D+02 -0.145662D+01 -0.107051D+00 -0.276810D+01  0.835531D+00
                36            37            38            39            40 
      1   0.315199D+00 -0.252794D+01  0.539568D+00  0.113444D+01  0.128271D+01
      2  -0.417972D+00 -0.823319D+01  0.269672D+01  0.123766D+01  0.228306D+01
      3  -0.140317D+01  0.575337D+01 -0.781879D+01 -0.178222D+00  0.297018D+00
                41            42            43            44            45 
      1  -0.100414D+01 -0.430080D+01 -0.139423D+01  0.329051D+01 -0.206692D+01
      2  -0.277659D+01 -0.140684D+01 -0.579290D+01 -0.799961D-01 -0.574401D+01
      3   0.778964D+01  0.199111D+01 -0.197777D+00  0.509224D+01  0.170272D+01
                46            47            48            49            50 
      1  -0.247468D+01  0.142697D+01 -0.815845D+01  0.248100D+01 -0.185056D+01
      2  -0.152935D+01  0.153766D+01 -0.219485D+00  0.100173D+01 -0.110998D+01
      3   0.885221D+01 -0.596622D+01  0.149692D+01  0.522316D+01 -0.770541D+00
                51            52            53            54            55 
      1  -0.591340D+01 -0.992600D+01  0.215254D+01  0.308214D+01  0.231965D+01
      2  -0.819015D+00 -0.678869D+01  0.224354D+01  0.102505D+01 -0.797773D+00
      3  -0.135338D+01  0.233374D+01 -0.206056D+01  0.981790D+01  0.957509D+01
                56            57            58            59            60 
      1  -0.332522D+01 -0.211830D+01 -0.708466D+00 -0.126437D+00 -0.378927D+01
      2  -0.684704D-01  0.122746D+02  0.873578D+00 -0.532595D+00  0.135335D+01
      3  -0.129377D+02 -0.111563D+01  0.332555D+00  0.131662D+01  0.858020D+00
                61            62            63            64            65 
      1  -0.394579D+01 -0.722786D+00  0.218735D+01  0.499264D+00 -0.101373D+00
      2   0.151761D+01  0.175351D+01 -0.422867D+01  0.125366D+01  0.301904D+00
      3  -0.942019D+00  0.410062D+01  0.282423D+01  0.120814D+01 -0.676645D+00
                66            67            68            69            70 
      1  -0.744538D+00  0.386729D+00  0.702063D+00 -0.147647D+00 -0.116043D+01
      2   0.722585D+00 -0.254874D+00 -0.190711D+00 -0.100038D+00 -0.281198D+01
      3  -0.585715D+00  0.139103D+01 -0.303327D+00 -0.263047D+00 -0.828245D+00
                71            72            73            74            75 
      1   0.245958D+01  0.490935D+01  0.150366D+01  0.133420D+01 -0.119212D+01
      2   0.385542D+00 -0.525872D-01 -0.100802D+01 -0.982994D+00  0.179440D+01
      3   0.623031D+00  0.385595D+00  0.370566D+00 -0.262237D+01 -0.403128D+00
                76            77            78            79            80 
      1   0.991740D+00  0.305631D+01 -0.360344D+01 -0.433487D+00 -0.990430D+00
      2  -0.554244D+00 -0.133958D+01  0.217937D+01 -0.313107D-01  0.142463D+01
      3   0.279390D+01 -0.741168D+01  0.777895D+00 -0.172073D+01  0.157701D+01
                81            82            83            84            85 
      1   0.309745D+00 -0.766519D+00 -0.113882D+00  0.841502D+00  0.295934D+00
      2  -0.190479D+00  0.206850D+01 -0.492114D+00 -0.879897D+00  0.248247D+00
      3  -0.883033D+00 -0.130826D+01 -0.773236D+00  0.917741D+00  0.299670D+00
                86            87            88            89            90 
      1  -0.801733D+00  0.252736D+00 -0.408237D+00  0.322413D+01 -0.794972D+01
      2   0.103430D+01 -0.240539D+00 -0.399199D+01  0.130881D+01  0.108242D+02
      3   0.379815D+00 -0.109859D+01  0.176604D+01 -0.164431D+01 -0.935433D+00
                91            92            93            94            95 
      1  -0.114622D+01 -0.257878D+00  0.215661D+01  0.170673D-01 -0.117183D+00
      2   0.288536D+01  0.899140D+00 -0.840462D+00  0.759935D+00  0.256831D+00
      3  -0.212631D+02 -0.283756D+01  0.453463D+00 -0.335060D+01 -0.798105D+00
                96            97            98            99           100 
      1   0.155717D+00  0.160270D+01  0.760946D+00 -0.447048D+00 -0.335078D+01
      2  -0.107896D+01 -0.232796D+01 -0.297676D+00 -0.300976D+00 -0.726193D+00
      3  -0.224564D+00  0.169641D+01 -0.278337D+00 -0.609045D+00 -0.400276D+01
               101           102           103           104           105 
      1   0.183495D+00  0.510538D+01  0.234562D+00 -0.110308D+01  0.576292D-01
      2   0.807779D+00  0.299848D+01  0.676480D+00  0.376182D+00  0.241874D-01
      3  -0.536475D+00  0.305857D+01  0.674186D+00 -0.142931D+00 -0.171399D+00
               106           107           108           109           110 
      1   0.592473D+01  0.792523D+00 -0.100680D+02  0.453960D+01 -0.100764D+01
      2   0.635336D+00 -0.103209D+01 -0.461130D+01  0.848269D+00 -0.968340D+00
      3   0.551848D+01  0.108310D+01 -0.524065D+01 -0.887277D+01  0.815061D+00
               111           112           113           114           115 
      1   0.506108D+01 -0.179498D+01  0.367182D+00 -0.157518D+01  0.541232D+01
      2   0.304497D+01 -0.670174D+00 -0.774279D-01 -0.718457D+00  0.866570D+00
      3  -0.426474D+01  0.342554D+01 -0.253997D+00  0.162444D+01 -0.706089D+01
               116           117           118           119           120 
      1  -0.202496D+00  0.571130D+01  0.193495D+01 -0.932315D-01  0.112604D+01
      2  -0.884944D+00  0.264990D+01  0.619909D+01 -0.158180D+01  0.572655D+01
      3   0.522158D+00 -0.514754D+01 -0.117334D+01 -0.387437D+01 -0.477357D+00
               121           122           123           124           125 
      1  -0.402436D+00  0.128325D+00 -0.678408D+00  0.125917D+01  0.397561D+00
      2  -0.121685D+01  0.885285D+00 -0.841539D+00  0.490876D+01 -0.141607D+01
      3  -0.450971D+00  0.208576D+01 -0.481896D+00 -0.822229D+00 -0.239616D+01
               126 
      1   0.776135D+00
      2   0.403322D+01
      3  -0.487198D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.154736D+01  0.123504D+01  0.154506D+01  0.116257D+02 -0.512116D+01
      2  -0.262313D+01 -0.203834D+01 -0.368941D+01 -0.147265D+02 -0.105823D+02
      3   0.417049D+01  0.803296D+00  0.214435D+01  0.310088D+01  0.157035D+02
      4   0.499543D+01 -0.109361D+02  0.452171D+01 -0.175541D+02 -0.185009D+02
      5   0.828404D+01  0.706668D+00  0.170216D+01 -0.316230D+01  0.299852D+01
      6   0.408297D+01  0.118556D+01  0.560905D+01  0.138407D+00 -0.130229D+00
                 6             7             8             9            10 
      1  -0.120225D+01  0.622930D+01 -0.475507D+00  0.122768D+02 -0.472059D+01
      2   0.404115D+01 -0.257678D+01  0.322107D+01  0.629447D+01  0.603310D+01
      3  -0.283890D+01 -0.365252D+01 -0.274556D+01 -0.185713D+02 -0.131251D+01
      4   0.326958D+01  0.234256D+01  0.587540D+01  0.349121D+00  0.133112D+00
      5   0.365037D+01  0.266884D+01  0.438568D+00 -0.126473D+02 -0.329713D+01
      6  -0.158406D+01  0.267676D+01  0.108622D+01 -0.881784D+01 -0.337164D+01
                11            12            13            14            15 
      1  -0.820356D+01 -0.343942D+01  0.111904D+01  0.194916D+01  0.858342D+00
      2   0.144897D+02  0.105350D+01  0.275504D+01 -0.255317D+01  0.331005D+00
      3  -0.628613D+01  0.238592D+01 -0.387408D+01  0.604008D+00 -0.118935D+01
      4  -0.139983D+01 -0.289270D+01 -0.177640D+01  0.468820D+01  0.169852D+00
      5  -0.734443D+00 -0.203230D+01  0.783798D+00  0.725008D+00  0.288734D+01
      6  -0.581875D+00  0.202738D+00  0.541158D+00  0.157882D+01 -0.345654D+00
                16            17            18            19            20 
      1  -0.520241D+01  0.142138D+01  0.835857D+01 -0.330340D+02 -0.829427D+01
      2  -0.765079D+00 -0.581453D+01  0.775301D+01  0.185167D+02  0.694769D+01
      3   0.596749D+01  0.439315D+01 -0.161116D+02  0.145173D+02  0.134658D+01
      4  -0.387935D+01 -0.109999D+01 -0.374655D+01 -0.119457D+02 -0.130095D+02
      5  -0.566236D+00 -0.157382D+01  0.495426D+01  0.620166D+01  0.396437D+00
      6  -0.430421D+01  0.227221D+00  0.706564D+01  0.283699D+01  0.210903D+01
                21            22            23            24            25 
      1   0.250440D+00 -0.147089D+01  0.100353D+02  0.613100D+00  0.842172D+01
      2  -0.497111D+01  0.255224D+01 -0.149687D+02 -0.178743D+01 -0.578253D+01
      3   0.472067D+01 -0.108135D+01  0.493339D+01  0.117433D+01 -0.263919D+01
      4   0.256117D+01 -0.216917D+01  0.783938D+01 -0.137861D+01  0.470470D+01
      5  -0.136804D+02 -0.572963D+00 -0.152082D+01  0.204414D+01  0.147498D+01
      6   0.151922D+01 -0.141894D+01 -0.346119D+01 -0.706670D+01 -0.156804D+01
                26            27            28            29            30 
      1  -0.120052D+01 -0.752200D+01 -0.212457D+01 -0.618992D+00 -0.827779D+00
      2   0.303436D+00 -0.343297D+01  0.696737D+01 -0.434994D+00  0.956829D+00
      3   0.897089D+00  0.109550D+02 -0.484280D+01  0.105399D+01 -0.129050D+00
      4   0.484100D+01 -0.862067D+00  0.563078D+01  0.158692D+02 -0.760223D+00
      5  -0.120236D+01  0.755133D+01 -0.402740D+00  0.708602D-01  0.614324D+01
      6   0.185236D+01  0.186867D+01 -0.173720D+01 -0.331276D+00 -0.156060D+01
                31            32            33            34            35 
      1  -0.869263D+00 -0.280888D+02 -0.195687D+01  0.143505D+00  0.207985D+00
      2  -0.183837D+01  0.410874D+02  0.157631D+01  0.659474D+00  0.165129D+00
      3   0.270763D+01 -0.129986D+02  0.380568D+00 -0.802979D+00 -0.373113D+00
      4   0.106649D+02 -0.500172D+00  0.133322D+01 -0.163989D+01 -0.740711D+00
      5   0.536170D+00  0.157738D+01 -0.189167D+01  0.339007D+01  0.137343D+01
      6   0.975366D+00  0.444382D+01  0.148019D+02 -0.209448D+01  0.129318D+02
                36            37            38            39            40 
      1  -0.851451D+01 -0.330442D+01 -0.327610D+00 -0.130127D+02 -0.850173D+01
      2   0.506930D+01  0.989348D+00 -0.232409D+01  0.886228D+01  0.589422D+01
      3   0.344522D+01  0.231507D+01  0.265170D+01  0.415043D+01  0.260750D+01
      4   0.608328D+00 -0.608865D+00  0.651404D+01  0.286036D+01  0.102947D+02
      5   0.161135D+00 -0.174974D+02  0.344898D+01  0.275244D+01  0.363304D+01
      6   0.144817D+01  0.235646D+01 -0.104516D+01 -0.134545D+01 -0.119440D+01
                41            42            43            44            45 
      1   0.488654D+00  0.112877D+01 -0.254603D+02  0.454657D+01 -0.532618D+01
      2   0.703898D+01 -0.158637D+01  0.154997D+02 -0.129493D+01 -0.186109D+01
      3  -0.752764D+01  0.457602D+00  0.996056D+01 -0.325164D+01  0.718727D+01
      4  -0.753016D+01 -0.402861D+01  0.644904D+01 -0.581218D+01 -0.119710D+01
      5  -0.479959D+01 -0.331088D+01  0.168726D+01 -0.294225D+01 -0.113726D+02
      6   0.884448D+00  0.587264D+01  0.860084D+00  0.360233D+01  0.280581D+01
                46            47            48            49            50 
      1  -0.219493D+01  0.800633D+01 -0.108904D+01  0.278462D+01 -0.133958D+02
      2   0.378786D+01 -0.125544D+02 -0.164893D+01 -0.662565D+01  0.271315D+02
      3  -0.159293D+01  0.454804D+01  0.273797D+01  0.384102D+01 -0.137357D+02
      4   0.129223D+02  0.351635D+01  0.365251D+01  0.947850D+01 -0.151045D+02
      5  -0.397747D+01  0.247664D+01 -0.723398D+01  0.139007D+01 -0.103770D+01
      6   0.481904D+01 -0.197926D+01  0.133530D+02 -0.312856D+01 -0.296133D+00
                51            52            53            54            55 
      1   0.134446D+01  0.200957D+00  0.820624D+00 -0.121900D+02  0.671889D+02
      2   0.646371D+00 -0.249663D+01  0.118434D+01  0.987158D+01 -0.400031D+02
      3  -0.199083D+01  0.229567D+01 -0.200496D+01  0.231839D+01 -0.271859D+02
      4  -0.281525D+01  0.469360D+01 -0.230392D+01  0.127731D+02  0.223628D+02
      5  -0.232481D+01 -0.714168D+01  0.296341D+01  0.209866D+01 -0.893764D+01
      6   0.725784D+01  0.155320D+02  0.885611D+01 -0.454137D+01 -0.246538D+01
                56            57            58            59            60 
      1   0.370659D+01 -0.398023D+01  0.237562D+01  0.349995D+01  0.430527D+00
      2   0.144481D+01  0.606563D+01  0.114450D+01  0.302123D+01 -0.180299D+00
      3  -0.515140D+01 -0.208540D+01 -0.352012D+01 -0.652117D+01 -0.250228D+00
      4   0.192357D+02 -0.221273D+01  0.163685D+02  0.604086D+01 -0.216990D+01
      5  -0.748754D+00  0.209973D+02 -0.235177D+00 -0.184890D+01  0.138856D+01
      6  -0.660928D+00  0.350976D+01 -0.149034D+01 -0.975913D+00  0.568798D+01
                61            62            63            64            65 
      1  -0.665273D+01  0.720368D+00  0.814666D+01  0.912133D-01  0.645516D+00
      2   0.692724D+01 -0.385990D+00 -0.103889D+02 -0.407382D+01 -0.640139D+00
      3  -0.274506D+00 -0.334378D+00  0.224227D+01  0.398261D+01 -0.537712D-02
      4  -0.262971D+01 -0.385539D+01  0.545058D+01  0.132972D+01  0.218943D+01
      5   0.195937D+02  0.225711D+01 -0.106392D+02 -0.165085D+01  0.125744D+00
      6   0.647052D+01  0.576453D+01 -0.378214D+01 -0.107913D+01 -0.895224D+00
                66            67            68            69            70 
      1   0.145268D+01  0.775300D-01 -0.329566D+01  0.539565D+00  0.159626D+01
      2   0.181037D+01  0.510586D+00  0.100320D+01 -0.220099D+01  0.303856D+01
      3  -0.326306D+01 -0.588117D+00  0.229247D+01  0.166143D+01 -0.463482D+01
      4  -0.957687D+00  0.234164D+01  0.555176D+00 -0.385141D+00 -0.123775D+01
      5   0.708294D+01  0.148846D+00 -0.112359D+01 -0.236114D+00  0.479179D+01
      6   0.144933D+01 -0.103294D+01 -0.143500D+01  0.570148D+01  0.194408D+01
                71            72            73            74            75 
      1   0.244470D+01 -0.172551D+02  0.740972D+01  0.399624D+01 -0.139655D+01
      2  -0.133052D+01 -0.149824D+02  0.128886D+01  0.358196D+01  0.115104D-01
      3  -0.111418D+01  0.322376D+02 -0.869858D+01 -0.757820D+01  0.138504D+01
      4   0.731509D+00  0.129775D+01  0.133141D+02  0.159806D+02 -0.143039D+01
      5   0.507110D+00 -0.479742D+01 -0.751676D+00  0.461665D-01  0.274765D+01
      6   0.516471D+01 -0.101593D+02 -0.602335D+00  0.285814D+00  0.163867D+01
                76            77            78            79            80 
      1   0.402941D+01 -0.575865D+01  0.412966D+00 -0.262585D+01  0.627191D+00
      2   0.567367D+01  0.232064D+02 -0.232945D+01  0.297727D+00 -0.338140D+01
      3  -0.970308D+01 -0.174477D+02  0.191648D+01  0.232812D+01  0.275421D+01
      4   0.188378D+02  0.306345D+02 -0.186324D+01 -0.343816D+01 -0.517784D+01
      5   0.741374D+00 -0.537708D+00  0.356700D+01  0.302333D+01  0.419162D+01
      6   0.969362D+00  0.837319D+00  0.469635D+01  0.223863D+01  0.516073D+01
                81            82            83            84            85 
      1  -0.238863D+01 -0.173817D+01  0.682392D+00  0.472403D+01 -0.173980D+01
      2   0.118239D+01 -0.113316D+01  0.605657D+00 -0.967917D+00  0.211801D+01
      3   0.120624D+01  0.287133D+01 -0.128805D+01 -0.375611D+01 -0.378213D+00
      4   0.477640D+01 -0.876886D-01  0.274008D+01  0.640607D+00  0.278591D+01
      5  -0.406440D+00  0.104430D+01  0.326852D-01  0.344867D+01 -0.145365D+00
      6  -0.784041D+00  0.866831D+00 -0.108517D+01 -0.205662D+01  0.192168D+00
                86            87            88            89            90 
      1  -0.209581D+01 -0.100284D+01  0.460140D+01 -0.323689D+01 -0.185602D+02
      2   0.628203D+00  0.194949D+01 -0.317618D+01  0.183276D+01 -0.141175D+02
      3   0.146761D+01 -0.946657D+00 -0.142522D+01  0.140414D+01  0.326777D+02
      4   0.197290D+01  0.194989D+01  0.166603D+01  0.255061D+01  0.252247D+01
      5   0.182971D+01 -0.116815D+01  0.585410D+01  0.152602D+01  0.188743D+02
      6   0.133202D+01  0.502168D+01  0.366039D+00  0.542984D+01  0.115432D+02
                91            92            93            94            95 
      1   0.386087D+01  0.935009D+01  0.141703D+01  0.205897D+01  0.624697D+00
      2  -0.373533D+01 -0.112431D+02 -0.717699D+00 -0.394519D+01  0.711967D+00
      3  -0.125542D+00  0.189298D+01 -0.699328D+00  0.188623D+01 -0.133666D+01
      4  -0.121072D+02 -0.978747D+00  0.132473D+01  0.726435D+00 -0.517411D+01
      5   0.385926D+00  0.477162D+00 -0.137500D+01  0.596373D+00 -0.567323D-01
      6   0.223074D+01 -0.103714D+01 -0.345780D+01 -0.277382D+00  0.306923D+00
                96            97            98            99           100 
      1   0.280822D+00  0.192300D-01 -0.544510D+00 -0.129388D+01  0.538590D+01
      2   0.711407D-01  0.958810D-01  0.556797D+00 -0.892320D-01 -0.268153D+01
      3  -0.351963D+00 -0.115111D+00 -0.122864D-01  0.138311D+01 -0.270437D+01
      4  -0.369963D+00  0.184251D+01 -0.102966D+00 -0.140133D+01 -0.881685D+01
      5  -0.199885D+01  0.139341D+01 -0.381788D+00 -0.916073D+00 -0.548908D+01
      6   0.463847D+00 -0.183130D+01  0.252806D+01  0.109944D+01  0.524249D+01
               101           102           103           104           105 
      1  -0.124398D+01 -0.248100D+01 -0.195205D+01 -0.238405D+01  0.602180D+00
      2  -0.128436D+00  0.212924D+01  0.138693D+01  0.377960D+01  0.624349D+00
      3   0.137241D+01  0.351761D+00  0.565125D+00 -0.139555D+01 -0.122653D+01
      4   0.561076D+01  0.537857D+01  0.257004D+01 -0.837864D-01 -0.160290D+01
      5   0.155945D+01  0.821353D+01  0.398632D+00 -0.101086D+01 -0.376009D-01
      6  -0.191530D+01 -0.844452D+01 -0.134218D+01 -0.228610D+00  0.156032D+01
               106           107           108           109           110 
      1  -0.389816D+01 -0.277025D+01  0.959014D+00  0.107857D+02 -0.263317D+01
      2   0.425387D+01  0.449017D+01 -0.656336D+01 -0.359632D+01 -0.880175D+00
      3  -0.355710D+00 -0.171992D+01  0.560435D+01 -0.718935D+01  0.351334D+01
      4   0.802975D+01 -0.379813D+01 -0.791583D+01 -0.190096D+02  0.106437D+02
      5   0.796432D+01 -0.233311D+01 -0.125380D+02  0.105812D+02 -0.414667D+01
      6  -0.887295D+01  0.288355D+01  0.160823D+02 -0.986447D+01  0.463569D+01
               111           112           113           114           115 
      1   0.418247D+01 -0.249136D+01 -0.286031D+01 -0.110576D+01  0.389043D+01
      2  -0.187371D+01 -0.230968D+00  0.569372D+01 -0.649991D+00 -0.287496D+01
      3  -0.230876D+01  0.272232D+01 -0.283341D+01  0.175575D+01 -0.101547D+01
      4  -0.907910D+01  0.806773D+01 -0.285019D+01  0.416252D+01 -0.119565D+02
      5   0.982133D+01 -0.213017D+01  0.208272D+01 -0.123790D+01  0.105493D+02
      6  -0.916513D+01  0.438096D+01 -0.129055D+01  0.455344D+01 -0.109235D+02
               116           117           118           119           120 
      1   0.107130D+01  0.173909D+01  0.455021D+02 -0.898199D+01  0.112692D+02
      2  -0.258833D+01 -0.400851D+01 -0.255171D+02  0.451449D+01 -0.632767D+01
      3   0.151703D+01  0.226942D+01 -0.199850D+02  0.446750D+01 -0.494152D+01
      4   0.518127D+01 -0.985891D+01 -0.101235D+02  0.688565D+01 -0.295870D+01
      5  -0.388166D+01  0.997899D+01  0.144675D+02 -0.306280D+01  0.988536D+01
      6   0.557404D+01 -0.113677D+02 -0.331536D+01  0.131524D+01 -0.125170D+01
               121           122           123           124           125 
      1  -0.570509D+01  0.449502D+01 -0.137509D+01  0.194295D+02 -0.406452D+01
      2   0.265015D+01 -0.138304D+01  0.358889D+00 -0.124074D+02  0.260993D+01
      3   0.305494D+01 -0.311198D+01  0.101620D+01 -0.702214D+01  0.145459D+01
      4   0.803375D+01 -0.399824D+01  0.268919D+01 -0.494682D+01  0.371134D+01
      5  -0.198232D+01  0.272256D+01 -0.133143D+01  0.139871D+02 -0.295333D+01
      6   0.164796D+01 -0.917612D+00  0.185189D+01 -0.250466D+01  0.179974D+01
               126 
      1   0.925504D+01
      2  -0.704197D+01
      3  -0.221307D+01
      4  -0.279598D+01
      5   0.865902D+01
      6  -0.181274D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:13:46 2021, MaxMem=  5368709120 cpu:            4429.6 elap:             555.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31906 -19.30959 -19.25806 -14.44787 -10.42915
 Alpha  occ. eigenvalues --  -10.37387 -10.35681  -1.21043  -1.16974  -1.12639
 Alpha  occ. eigenvalues --   -1.01249  -0.86095  -0.75749  -0.70433  -0.65248
 Alpha  occ. eigenvalues --   -0.64524  -0.59326  -0.56020  -0.55037  -0.53301
 Alpha  occ. eigenvalues --   -0.52059  -0.50099  -0.47611  -0.45167  -0.40964
 Alpha  occ. eigenvalues --   -0.40194  -0.36782  -0.34726
 Alpha virt. eigenvalues --    0.02391   0.04007   0.04698   0.05508   0.06531
 Alpha virt. eigenvalues --    0.07476   0.08106   0.08536   0.10395   0.10761
 Alpha virt. eigenvalues --    0.11230   0.13273   0.13951   0.14583   0.15045
 Alpha virt. eigenvalues --    0.15867   0.15933   0.16766   0.17166   0.18356
 Alpha virt. eigenvalues --    0.19984   0.20540   0.21034   0.21755   0.23046
 Alpha virt. eigenvalues --    0.23645   0.24656   0.25041   0.26668   0.27682
 Alpha virt. eigenvalues --    0.28707   0.29512   0.29572   0.30454   0.31089
 Alpha virt. eigenvalues --    0.31501   0.32372   0.32945   0.33378   0.33995
 Alpha virt. eigenvalues --    0.34986   0.36489   0.38062   0.38568   0.39061
 Alpha virt. eigenvalues --    0.39564   0.40707   0.42752   0.43057   0.44780
 Alpha virt. eigenvalues --    0.45142   0.45606   0.47181   0.48397   0.50087
 Alpha virt. eigenvalues --    0.50427   0.50913   0.52364   0.53061   0.55227
 Alpha virt. eigenvalues --    0.55865   0.56017   0.58490   0.59878   0.60541
 Alpha virt. eigenvalues --    0.61820   0.63545   0.64002   0.64185   0.65526
 Alpha virt. eigenvalues --    0.66115   0.67816   0.68986   0.70966   0.72140
 Alpha virt. eigenvalues --    0.72598   0.73339   0.74131   0.75610   0.76905
 Alpha virt. eigenvalues --    0.79180   0.81131   0.82061   0.83944   0.84211
 Alpha virt. eigenvalues --    0.84738   0.87436   0.88647   0.90881   0.91703
 Alpha virt. eigenvalues --    0.93245   0.95124   0.98314   0.99525   1.00700
 Alpha virt. eigenvalues --    1.02214   1.03074   1.04833   1.07983   1.11395
 Alpha virt. eigenvalues --    1.13061   1.13677   1.14837   1.16680   1.18090
 Alpha virt. eigenvalues --    1.21113   1.22750   1.24239   1.25866   1.29227
 Alpha virt. eigenvalues --    1.30211   1.31409   1.34079   1.34262   1.36891
 Alpha virt. eigenvalues --    1.41951   1.43225   1.47063   1.50498   1.51262
 Alpha virt. eigenvalues --    1.52200   1.55100   1.57597   1.59650   1.61922
 Alpha virt. eigenvalues --    1.63507   1.66176   1.71990   1.73353   1.73742
 Alpha virt. eigenvalues --    1.75143   1.77655   1.82884   1.84171   1.86335
 Alpha virt. eigenvalues --    1.87562   1.88738   1.92291   1.94794   1.95603
 Alpha virt. eigenvalues --    1.96811   2.00253   2.01837   2.06293   2.08075
 Alpha virt. eigenvalues --    2.11454   2.13932   2.17086   2.18463   2.20560
 Alpha virt. eigenvalues --    2.22244   2.24279   2.24976   2.28469   2.30775
 Alpha virt. eigenvalues --    2.33238   2.35400   2.39440   2.41493   2.42786
 Alpha virt. eigenvalues --    2.45207   2.49755   2.52644   2.54810   2.57692
 Alpha virt. eigenvalues --    2.62764   2.66332   2.69647   2.71636   2.76075
 Alpha virt. eigenvalues --    2.81122   2.82059   2.89775   2.91192   3.04307
 Alpha virt. eigenvalues --    3.07918   3.15002   3.19235   3.22863   3.31904
 Alpha virt. eigenvalues --    3.41197   3.45107   3.46910   3.48171   3.50183
 Alpha virt. eigenvalues --    3.50475   3.54024   3.55419   3.57244   3.61288
 Alpha virt. eigenvalues --    3.64283   3.71446   3.80820   3.89665   4.04990
 Alpha virt. eigenvalues --    4.10851
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.492334   0.320655  -0.162802   0.003700   0.040884  -0.112006
     2  C    0.320655   6.367224  -0.727902   0.165765   0.002377  -0.046463
     3  C   -0.162802  -0.727902   6.014615  -0.208226   0.012194   0.078789
     4  O    0.003700   0.165765  -0.208226   8.423983  -0.032191  -0.041973
     5  O    0.040884   0.002377   0.012194  -0.032191   8.293658   0.036049
     6  N   -0.112006  -0.046463   0.078789  -0.041973   0.036049   6.672665
     7  O    0.026751  -0.055710   0.361607  -0.090213  -0.004905  -0.034281
     8  H    0.006479  -0.239432  -0.036048   0.006733  -0.013203   0.009871
     9  H    0.238687   0.083012   0.018268   0.001551  -0.139718  -0.055436
    10  H    0.113823  -0.117512  -0.058668   0.029384  -0.015110  -0.006024
    11  H   -0.002768  -0.045573  -0.030275   0.240717   0.022774  -0.002928
    12  H    0.003596  -0.109566  -0.031001  -0.001904   0.000661   0.395334
    13  H    0.003137   0.129948  -0.070389   0.005906  -0.001391   0.263608
    14  H   -0.052218   0.043104  -0.011207  -0.006361   0.364864  -0.001645
               7          8          9         10         11         12
     1  C    0.026751   0.006479   0.238687   0.113823  -0.002768   0.003596
     2  C   -0.055710  -0.239432   0.083012  -0.117512  -0.045573  -0.109566
     3  C    0.361607  -0.036048   0.018268  -0.058668  -0.030275  -0.031001
     4  O   -0.090213   0.006733   0.001551   0.029384   0.240717  -0.001904
     5  O   -0.004905  -0.013203  -0.139718  -0.015110   0.022774   0.000661
     6  N   -0.034281   0.009871  -0.055436  -0.006024  -0.002928   0.395334
     7  O    8.258343   0.012302   0.001966  -0.000021   0.014616   0.008705
     8  H    0.012302   1.579503  -0.098011   0.097575   0.004016   0.035992
     9  H    0.001966  -0.098011   1.465774  -0.299238   0.005806  -0.013399
    10  H   -0.000021   0.097575  -0.299238   1.610890  -0.016049   0.008947
    11  H    0.014616   0.004016   0.005806  -0.016049   0.592256  -0.001256
    12  H    0.008705   0.035992  -0.013399   0.008947  -0.001256   0.785838
    13  H    0.002270  -0.092351   0.011268  -0.002365  -0.000089  -0.078217
    14  H    0.000389   0.000154   0.003754  -0.056839  -0.000150   0.000484
              13         14
     1  C    0.003137  -0.052218
     2  C    0.129948   0.043104
     3  C   -0.070389  -0.011207
     4  O    0.005906  -0.006361
     5  O   -0.001391   0.364864
     6  N    0.263608  -0.001645
     7  O    0.002270   0.000389
     8  H   -0.092351   0.000154
     9  H    0.011268   0.003754
    10  H   -0.002365  -0.056839
    11  H   -0.000089  -0.000150
    12  H   -0.078217   0.000484
    13  H    0.847494   0.000351
    14  H    0.000351   0.563850
 Mulliken charges:
               1
     1  C    1.079748
     2  C    0.230073
     3  C    0.851046
     4  O   -0.496870
     5  O   -0.566942
     6  N   -0.155562
     7  O   -0.501819
     8  H   -0.273580
     9  H   -0.224283
    10  H   -0.288793
    11  H    0.218903
    12  H   -0.004214
    13  H   -0.019180
    14  H    0.151471
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.566672
     2  C   -0.043506
     3  C    0.851046
     4  O   -0.277967
     5  O   -0.415471
     6  N   -0.178955
     7  O   -0.501819
 Electronic spatial extent (au):  <R**2>=            765.2191
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.9643    Y=              1.6351    Z=              0.3075  Tot=              4.2992
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -40.2370   YY=            -47.9976   ZZ=            -38.7870
   XY=             -5.5619   XZ=              4.9124   YZ=              0.0984
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1035   YY=             -5.6570   ZZ=              3.5536
   XY=             -5.5619   XZ=              4.9124   YZ=              0.0984
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             37.0247  YYY=            -11.7684  ZZZ=              0.0074  XYY=              3.3035
  XXY=              5.7190  XXZ=              6.1633  XZZ=             -0.7015  YZZ=              1.2090
  YYZ=             -1.0697  XYZ=             -1.1040
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -431.4675 YYYY=           -433.8031 ZZZZ=            -67.9638 XXXY=            -34.3253
 XXXZ=             34.6392 YYYX=            -19.0756 YYYZ=             -0.1195 ZZZX=              1.7379
 ZZZY=             -0.9576 XXYY=           -126.3877 XXZZ=            -87.4820 YYZZ=            -71.2427
 XXYZ=             -2.9935 YYXZ=              1.0262 ZZXY=             -6.1674
 N-N= 3.265820661662D+02 E-N=-1.588499136365D+03  KE= 3.965405361021D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:13:46 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54870977D+00 6.43249652D-01 1.30228296D-01
 Polarizability= 6.32193334D+01-2.58433716D+00 5.62968229D+01
                -7.22743658D-01 6.51250975D-01 4.40968707D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5201    0.5197       -1.0058   -1.0055
 2     -0.5201   -0.5197       -0.3238   -0.3241       -2.9056   -2.9045
 3      1.0058    1.0055       10.1015   10.0987        0.3236    0.3241
 4      0.3238    0.3241       -0.0000    0.0000        1.0063    1.0055
 5     -7.1959   -7.1942       -1.0063   -1.0055        0.5201    0.5197
 6     -0.3236   -0.3241       -0.5201   -0.5197       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.5591   -1.5591       -3.0166   -3.0166
 2      0.9722    0.9722        0.0000    0.0000       -3.0166   -3.0166
 3      0.9722    0.9722       -1.5591   -1.5591        0.0000    0.0000
 4     -1.5591   -1.5591       -0.9722   -0.9722       -8.7136   -8.7136
 5      3.0166    3.0166       30.2961   30.2961        0.9722    0.9722
 6    -21.5825  -21.5825       -3.0166   -3.0166        1.5591    1.5591
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0851    0.0000       -2.0817   -2.0787        3.9116    4.0221
 2      1.8185    2.0787        1.3888    1.2962       11.6631   11.6181
 3     -3.9208   -4.0221      -40.4277  -40.3948       -1.3343   -1.2962
 4     -1.5182   -1.2962        0.0936    0.0000       -4.1667   -4.0221
 5     28.8442   28.7767        3.9955    4.0221       -2.0824   -2.0787
 6      1.2797    1.2962        2.0372    2.0787       -0.0181    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0673    0.0000       -6.6071   -6.5238       -3.3427   -3.2050
 2      6.4356    6.5238        3.7577    3.5637       -9.7845   -9.9403
 3      3.2854    3.2050       10.4816   10.5149       -3.7462   -3.5637
 4     -3.6196   -3.5637       -0.0426    0.0000        3.2343    3.2050
 5     -1.1268   -0.5746       -2.9451   -3.2050       -6.6556   -6.5238
 6      3.5188    3.5637        6.5506    6.5238       -0.0970    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.3728    4.3398       15.3555   15.3344       14.0440   14.0515
 2     -4.7824   -4.7571        9.3518    9.3632       14.1239   14.0515
 3     -4.7789   -4.7571       15.3403   15.3344       17.2763   17.2564
 4      5.9396    5.9711        9.1130    9.0969       -8.9321   -8.7458
 5      3.1829    3.2048       13.8117   13.5775       -9.2911   -9.0969
 6     -5.4979   -4.8317       -2.8423   -3.2048       -6.2175   -5.9711
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0010   -0.0009   -0.0004    2.9596    5.7483    8.8004
 Low frequencies ---   47.9717   96.8332  151.5223
 Diagonal vibrational polarizability:
       67.4860253      35.6629800     386.9730278
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     47.9669                96.8329               151.5216
 Red. masses --      1.7485                 1.9636                 2.6078
 Frc consts  --      0.0024                 0.0108                 0.0353
 IR Inten    --     30.8864                18.3910                 5.3327
 RamAct Fr= 1--      0.1662                 0.5444                 0.1101
  Dep-P Fr= 1--      0.7018                 0.7142                 0.7123
  Dep-U Fr= 1--      0.8248                 0.8333                 0.8320
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0001
 Beta2  Fr= 1--      0.0228                 0.0756                 0.0153
 AlphaG Fr= 1--     -0.0023                -0.0028                -0.0003
 Gamma2 Fr= 1--      0.3204                -0.1447                -0.0395
 Delta2 Fr= 1--      0.1952                -0.0112                -0.0409
 Raman1 Fr= 1--       0.665                  2.178                  0.440
 ROA1   Fr= 1--      36.999                -14.255                 -5.097
 CID1   Fr= 1--      55.670                 -6.546                -11.572
 Raman2 Fr= 1--       0.274                  0.907                  0.183
 ROA2   Fr= 1--       6.127                 -3.384                 -0.620
 CID2   Fr= 1--      22.355                 -3.729                 -3.386
 Raman3 Fr= 1--       0.548                  1.815                  0.366
 ROA3   Fr= 1--      36.999                -14.255                 -5.097
 CID3   Fr= 1--      67.497                 -7.856                -13.909
 RC180  Fr= 1--       0.650                  0.667                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03     0.02  -0.03  -0.01    -0.06  -0.12   0.20
     2   6     0.00  -0.00  -0.02    -0.00   0.01   0.02     0.03  -0.02   0.04
     3   6     0.01   0.01  -0.00    -0.01   0.01  -0.00    -0.02   0.01   0.02
     4   8    -0.02   0.00  -0.13     0.03   0.02   0.16    -0.02  -0.00   0.03
     5   8    -0.00  -0.01   0.05     0.01  -0.00  -0.10     0.05   0.12  -0.15
     6   7    -0.02  -0.01  -0.04    -0.01  -0.01   0.10     0.02   0.01  -0.14
     7   8     0.05   0.01   0.16    -0.04   0.00  -0.12    -0.01   0.02   0.03
     8   1     0.05  -0.02  -0.01    -0.02   0.04   0.02     0.19  -0.07   0.08
     9   1    -0.01  -0.01   0.05     0.01  -0.02   0.02    -0.13   0.01   0.58
    10   1    -0.06  -0.01   0.02     0.06  -0.08  -0.01    -0.12  -0.54   0.17
    11   1    -0.02   0.00  -0.15     0.03   0.03   0.15    -0.04  -0.02  -0.08
    12   1    -0.53  -0.26  -0.35    -0.54  -0.33  -0.23     0.08   0.18  -0.09
    13   1     0.40   0.33  -0.41     0.42   0.41  -0.26    -0.03  -0.15  -0.12
    14   1    -0.06  -0.06   0.12     0.07   0.02  -0.18     0.07   0.02  -0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.6581               292.3915               312.4592
 Red. masses --      2.7899                 1.7026                 3.9498
 Frc consts  --      0.1143                 0.0858                 0.2272
 IR Inten    --      6.9488                89.5744                26.9409
 RamAct Fr= 1--      0.3926                 0.4748                 1.1341
  Dep-P Fr= 1--      0.6283                 0.7351                 0.2765
  Dep-U Fr= 1--      0.7717                 0.8474                 0.4332
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.0125
 Beta2  Fr= 1--      0.0505                 0.0670                 0.0819
 AlphaG Fr= 1--     -0.0019                 0.0000                -0.0046
 Gamma2 Fr= 1--      0.1600                 0.2570                -0.0257
 Delta2 Fr= 1--      0.0571                 0.0635                -0.0239
 Raman1 Fr= 1--       1.570                  1.899                  4.536
 ROA1   Fr= 1--      17.187                 26.704                 -3.231
 CID1   Fr= 1--      10.945                 14.062                 -0.712
 Raman2 Fr= 1--       0.606                  0.805                  0.983
 ROA2   Fr= 1--       3.384                  5.660                 -0.426
 CID2   Fr= 1--       5.585                  7.034                 -0.433
 Raman3 Fr= 1--       1.212                  1.609                  1.965
 ROA3   Fr= 1--      17.187                 26.704                 -3.231
 CID3   Fr= 1--      14.183                 16.595                 -1.644
 RC180  Fr= 1--       0.543                  0.695                 -0.134
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.07   0.02    -0.00  -0.01  -0.05    -0.02  -0.02   0.03
     2   6    -0.05   0.07  -0.04    -0.02  -0.04  -0.04     0.07   0.03  -0.11
     3   6     0.03   0.03  -0.02    -0.05  -0.00  -0.01     0.12   0.04  -0.10
     4   8     0.18   0.12   0.04    -0.04  -0.00   0.02    -0.01  -0.04   0.07
     5   8    -0.14  -0.12  -0.04     0.16   0.09  -0.02    -0.05  -0.03  -0.02
     6   7    -0.00   0.10  -0.03     0.02  -0.02   0.04    -0.20  -0.17   0.06
     7   8     0.04  -0.09   0.02    -0.05   0.00   0.01     0.15   0.26  -0.00
     8   1    -0.02   0.10  -0.03    -0.07  -0.02  -0.05     0.12   0.18  -0.10
     9   1     0.05  -0.11   0.14    -0.08   0.04  -0.01     0.06  -0.02   0.21
    10   1    -0.13  -0.18   0.00    -0.03  -0.03  -0.06    -0.15  -0.16   0.00
    11   1     0.16   0.25  -0.01    -0.06   0.02  -0.09    -0.01  -0.12  -0.03
    12   1     0.07   0.15   0.02     0.04  -0.06   0.04    -0.09  -0.44   0.10
    13   1    -0.05   0.08   0.02     0.02   0.06   0.06    -0.36  -0.39   0.18
    14   1    -0.45  -0.59   0.32    -0.42  -0.49   0.70    -0.16  -0.21   0.11
                      7                      8                      9
                      A                      A                      A
 Frequencies --    347.5246               417.6098               535.9993
 Red. masses --      2.5809                 4.9865                 5.0811
 Frc consts  --      0.1837                 0.5124                 0.8601
 IR Inten    --     26.6146                 3.5388                 2.9888
 RamAct Fr= 1--      0.3474                 2.8145                 5.2908
  Dep-P Fr= 1--      0.6609                 0.7418                 0.0985
  Dep-U Fr= 1--      0.7959                 0.8518                 0.1793
 Alpha2 Fr= 1--      0.0006                 0.0004                 0.0930
 Beta2  Fr= 1--      0.0461                 0.3996                 0.1581
 AlphaG Fr= 1--     -0.0074                 0.0001                -0.0165
 Gamma2 Fr= 1--      0.0201                 0.2479                 0.2323
 Delta2 Fr= 1--     -0.0390                -0.0694                 0.0371
 Raman1 Fr= 1--       1.390                 11.258                 21.163
 ROA1   Fr= 1--       0.682                 21.575                 23.485
 CID1   Fr= 1--       0.491                  1.916                  1.110
 Raman2 Fr= 1--       0.553                  4.795                  1.897
 ROA2   Fr= 1--       0.794                  6.504                  5.277
 CID2   Fr= 1--       1.436                  1.356                  2.782
 Raman3 Fr= 1--       1.106                  9.589                  3.794
 ROA3   Fr= 1--       0.682                 21.575                 23.485
 CID3   Fr= 1--       0.617                  2.250                  6.190
 RC180  Fr= 1--       0.592                  0.704                 -0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.15   0.10   0.05     0.09  -0.16  -0.03     0.11  -0.04  -0.00
     2   6     0.05   0.02   0.21    -0.06  -0.03   0.03    -0.01   0.25  -0.05
     3   6     0.03  -0.00   0.11    -0.10   0.11   0.04     0.03   0.00  -0.09
     4   8    -0.03  -0.02  -0.05     0.08   0.27  -0.06    -0.14  -0.15   0.08
     5   8    -0.05  -0.02  -0.08     0.24  -0.15   0.05     0.16  -0.09   0.02
     6   7    -0.11  -0.02  -0.08    -0.19  -0.09  -0.04    -0.20   0.26  -0.02
     7   8    -0.02   0.00  -0.07    -0.11   0.02   0.02     0.07  -0.15   0.02
     8   1     0.09  -0.10   0.22    -0.11  -0.08   0.02    -0.04   0.42  -0.05
     9   1     0.18   0.04  -0.16     0.07  -0.16  -0.05     0.26  -0.07   0.18
    10   1     0.40   0.20   0.08     0.13  -0.15  -0.03     0.02  -0.18  -0.03
    11   1    -0.03   0.01  -0.03     0.09   0.36   0.05    -0.12  -0.40  -0.06
    12   1    -0.19   0.11  -0.12    -0.14  -0.10  -0.02    -0.18   0.25  -0.00
    13   1    -0.05  -0.28  -0.19    -0.27  -0.36  -0.02    -0.23   0.10  -0.03
    14   1    -0.27  -0.50   0.16     0.41   0.25  -0.13     0.16   0.05   0.06
                     10                     11                     12
                      A                      A                      A
 Frequencies --    612.5585               735.1443               762.0469
 Red. masses --      4.4816                 3.7228                 1.2610
 Frc consts  --      0.9908                 1.1854                 0.4315
 IR Inten    --     23.0235                12.5882                75.9020
 RamAct Fr= 1--      2.1968                 2.5300                 3.0874
  Dep-P Fr= 1--      0.7431                 0.0526                 0.1822
  Dep-U Fr= 1--      0.8526                 0.1000                 0.3083
 Alpha2 Fr= 1--      0.0003                 0.0497                 0.0439
 Beta2  Fr= 1--      0.3122                 0.0422                 0.1586
 AlphaG Fr= 1--      0.0025                 0.0101                 0.0820
 Gamma2 Fr= 1--     -0.9403                -0.1591                -0.1124
 Delta2 Fr= 1--      0.0624                -0.1650                 0.4014
 Raman1 Fr= 1--       8.787                 10.120                 12.349
 ROA1   Fr= 1--     -88.274                -20.558                  2.057
 CID1   Fr= 1--     -10.046                 -2.031                  0.167
 Raman2 Fr= 1--       3.746                  0.506                  1.904
 ROA2   Fr= 1--     -23.066                 -2.499                 -5.907
 CID2   Fr= 1--      -6.158                 -4.937                 -3.103
 Raman3 Fr= 1--       7.492                  1.012                  3.807
 ROA3   Fr= 1--     -88.274                -20.558                  2.057
 CID3   Fr= 1--     -11.783                -20.307                  0.540
 RC180  Fr= 1--       0.705                 -0.800                 -0.383
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.11  -0.09    -0.06  -0.02  -0.08     0.03   0.03   0.02
     2   6    -0.20  -0.07   0.13     0.07   0.04  -0.08     0.02   0.03  -0.04
     3   6     0.11  -0.07   0.16     0.16   0.14   0.30    -0.05  -0.05  -0.02
     4   8     0.12  -0.14  -0.08    -0.15   0.08  -0.06     0.02  -0.04  -0.05
     5   8     0.08  -0.03   0.00    -0.01   0.01  -0.00     0.01  -0.00  -0.02
     6   7    -0.06   0.14  -0.00     0.02  -0.03   0.01    -0.00   0.01   0.00
     7   8     0.07   0.21  -0.09     0.07  -0.13  -0.09    -0.04   0.02   0.04
     8   1    -0.42  -0.17   0.09    -0.22  -0.23  -0.13     0.05   0.04  -0.03
     9   1    -0.23  -0.08  -0.09     0.06   0.02   0.30     0.08   0.02   0.10
    10   1    -0.10  -0.12  -0.08    -0.38  -0.25  -0.13    -0.00  -0.04   0.01
    11   1     0.16  -0.10   0.20    -0.03  -0.20   0.44     0.16   0.12   0.95
    12   1    -0.10   0.46   0.00    -0.00  -0.27  -0.03     0.01  -0.06   0.00
    13   1     0.04   0.20  -0.08    -0.03  -0.08   0.05    -0.03   0.01   0.02
    14   1    -0.01   0.19   0.17    -0.08   0.08   0.11    -0.02  -0.08   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    813.5457               898.5335               991.0884
 Red. masses --      2.7960                 1.5223                 2.1300
 Frc consts  --      1.0903                 0.7241                 1.2327
 IR Inten    --     12.6564               148.5052                 7.5063
 RamAct Fr= 1--      5.3226                 1.7663                 6.7275
  Dep-P Fr= 1--      0.0614                 0.1201                 0.3367
  Dep-U Fr= 1--      0.1158                 0.2144                 0.5038
 Alpha2 Fr= 1--      0.1023                 0.0294                 0.0616
 Beta2  Fr= 1--      0.1027                 0.0631                 0.5649
 AlphaG Fr= 1--     -0.0902                -0.0207                -0.0494
 Gamma2 Fr= 1--      0.0080                 0.0107                -0.9707
 Delta2 Fr= 1--      0.1402                 0.1606                -0.2852
 Raman1 Fr= 1--      21.291                  7.065                 26.910
 ROA1   Fr= 1--       5.251                  6.168               -102.309
 CID1   Fr= 1--       0.247                  0.873                 -3.802
 Raman2 Fr= 1--       1.232                  0.757                  6.778
 ROA2   Fr= 1--      -0.930                 -1.028                -21.014
 CID2   Fr= 1--      -0.755                 -1.358                 -3.100
 Raman3 Fr= 1--       2.464                  1.515                 13.557
 ROA3   Fr= 1--       5.251                  6.168               -102.309
 CID3   Fr= 1--       2.131                  4.071                 -7.547
 RC180  Fr= 1--      -0.768                 -0.571                  0.008
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.06  -0.00     0.06   0.05   0.03    -0.01   0.07   0.17
     2   6     0.07   0.08  -0.14    -0.07   0.03  -0.03    -0.10  -0.12  -0.13
     3   6    -0.06  -0.10   0.19     0.01   0.01   0.01     0.04   0.00   0.05
     4   8     0.12  -0.09  -0.02    -0.01   0.01  -0.00    -0.03   0.02  -0.00
     5   8    -0.01  -0.01   0.03     0.01  -0.01   0.00     0.05  -0.04  -0.03
     6   7    -0.01   0.04   0.00    -0.05  -0.16  -0.02    -0.03   0.09  -0.00
     7   8    -0.15   0.06  -0.02     0.02   0.00  -0.01     0.03  -0.00  -0.03
     8   1    -0.13  -0.04  -0.17    -0.12   0.06  -0.04     0.13  -0.34  -0.07
     9   1     0.31   0.05   0.38     0.13   0.04   0.15    -0.13   0.03  -0.21
    10   1    -0.25  -0.18  -0.06    -0.02  -0.06   0.02     0.20   0.32   0.21
    11   1    -0.01   0.17  -0.59    -0.01  -0.00   0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.25  -0.01     0.28   0.53   0.19     0.08  -0.34   0.02
    13   1    -0.09   0.04   0.08     0.17   0.67  -0.04    -0.23   0.32   0.23
    14   1     0.07  -0.06  -0.11     0.05  -0.09  -0.07     0.15  -0.34  -0.22
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1028.3208              1056.6756              1155.0227
 Red. masses --      4.3433                 2.0606                 1.4496
 Frc consts  --      2.7060                 1.3556                 1.1394
 IR Inten    --    105.1666                 8.3834                 4.1778
 RamAct Fr= 1--      1.8676                 1.0053                 0.2344
  Dep-P Fr= 1--      0.4689                 0.7465                 0.6453
  Dep-U Fr= 1--      0.6384                 0.8548                 0.7844
 Alpha2 Fr= 1--      0.0106                 0.0001                 0.0004
 Beta2  Fr= 1--      0.1987                 0.1432                 0.0306
 AlphaG Fr= 1--     -0.0055                -0.0004                -0.0004
 Gamma2 Fr= 1--     -0.2505                -0.6647                 0.0200
 Delta2 Fr= 1--      0.0081                -0.2155                -0.0576
 Raman1 Fr= 1--       7.470                  4.021                  0.938
 ROA1   Fr= 1--     -23.792                -70.705                  0.080
 CID1   Fr= 1--      -3.185                -17.584                  0.085
 Raman2 Fr= 1--       2.385                  1.719                  0.368
 ROA2   Fr= 1--      -6.077                -14.228                  0.941
 CID2   Fr= 1--      -2.548                 -8.279                  2.560
 Raman3 Fr= 1--       4.769                  3.437                  0.735
 ROA3   Fr= 1--     -23.792                -70.705                  0.080
 CID3   Fr= 1--      -4.989                -20.570                  0.109
 RC180  Fr= 1--       0.277                  0.710                  0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.31  -0.20  -0.06     0.01   0.20  -0.02     0.01   0.04  -0.07
     2   6    -0.09  -0.16  -0.04    -0.06  -0.09   0.07     0.10  -0.09   0.03
     3   6     0.01   0.02  -0.06     0.00  -0.06  -0.09    -0.01  -0.04  -0.02
     4   8    -0.01   0.02   0.00    -0.04   0.05   0.02    -0.01   0.03   0.00
     5   8    -0.15   0.21   0.11     0.04  -0.08  -0.01    -0.02  -0.03  -0.01
     6   7    -0.04   0.10   0.01     0.04   0.03   0.01    -0.08   0.05   0.00
     7   8     0.05   0.00  -0.00     0.05   0.00   0.01     0.00   0.00   0.00
     8   1    -0.50  -0.36  -0.12    -0.44  -0.15  -0.01     0.44  -0.36   0.10
     9   1     0.22  -0.08   0.17     0.13   0.26   0.49    -0.03   0.12   0.17
    10   1     0.13  -0.28  -0.07    -0.37  -0.25  -0.10     0.14  -0.32  -0.08
    11   1     0.00  -0.01   0.12    -0.04   0.09  -0.03    -0.01   0.02  -0.02
    12   1    -0.09  -0.02  -0.02    -0.14   0.03  -0.08     0.11  -0.03   0.09
    13   1    -0.12   0.03   0.06     0.03  -0.29  -0.05    -0.11   0.42   0.11
    14   1     0.01  -0.27  -0.20     0.10  -0.13  -0.09    -0.16   0.39   0.26
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1178.5771              1215.5463              1237.8635
 Red. masses --      1.9319                 2.5279                 1.1317
 Frc consts  --      1.5811                 2.2006                 1.0217
 IR Inten    --     53.0482                46.6451                 2.3093
 RamAct Fr= 1--      1.2756                 7.0224                 2.4620
  Dep-P Fr= 1--      0.5214                 0.4259                 0.6649
  Dep-U Fr= 1--      0.6854                 0.5973                 0.7987
 Alpha2 Fr= 1--      0.0057                 0.0473                 0.0037
 Beta2  Fr= 1--      0.1457                 0.6991                 0.3277
 AlphaG Fr= 1--      0.0248                 0.0568                -0.0073
 Gamma2 Fr= 1--      0.3835                 0.3165                 0.0364
 Delta2 Fr= 1--     -0.4696                 0.7422                 0.2802
 Raman1 Fr= 1--       5.103                 28.089                  9.848
 ROA1   Fr= 1--      21.790                 54.133                 12.456
 CID1   Fr= 1--       4.271                  1.927                  1.265
 Raman2 Fr= 1--       1.749                  8.389                  3.933
 ROA2   Fr= 1--      12.962                  1.657                 -1.369
 CID2   Fr= 1--       7.412                  0.198                 -0.348
 Raman3 Fr= 1--       3.497                 16.779                  7.866
 ROA3   Fr= 1--      21.790                 54.133                 12.456
 CID3   Fr= 1--       6.231                  3.226                  1.584
 RC180  Fr= 1--       0.371                  0.195                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.01    -0.02   0.03  -0.03    -0.03  -0.02   0.04
     2   6     0.16  -0.11  -0.06     0.11  -0.05   0.04     0.04   0.00   0.03
     3   6     0.01  -0.11   0.04    -0.05   0.27  -0.06    -0.01  -0.02  -0.04
     4   8    -0.04   0.06  -0.00     0.09  -0.11  -0.01    -0.00   0.01   0.00
     5   8     0.01   0.03   0.01     0.01  -0.02   0.01     0.01   0.02  -0.04
     6   7    -0.08   0.05   0.06    -0.05   0.01   0.03    -0.01   0.00  -0.00
     7   8     0.01   0.00  -0.01    -0.06  -0.02   0.03     0.01   0.00   0.01
     8   1     0.13   0.31  -0.08    -0.04  -0.45   0.02    -0.19  -0.34  -0.00
     9   1    -0.12  -0.03  -0.13    -0.29   0.16   0.01     0.61  -0.37  -0.08
    10   1    -0.34   0.21  -0.04    -0.42   0.08  -0.08    -0.35   0.37   0.04
    11   1    -0.06   0.21   0.02     0.12  -0.35   0.02     0.00  -0.01  -0.00
    12   1    -0.13   0.57   0.07     0.00   0.16   0.07     0.03  -0.01   0.02
    13   1     0.12  -0.06  -0.16     0.03   0.06  -0.03    -0.02   0.08   0.02
    14   1     0.13  -0.33  -0.23     0.13  -0.36  -0.22    -0.08   0.19   0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1283.5480              1337.9390              1396.0612
 Red. masses --      1.6478                 1.3218                 1.2687
 Frc consts  --      1.5995                 1.3941                 1.4569
 IR Inten    --     31.7659                 3.2232                29.9582
 RamAct Fr= 1--      1.4904                 6.8699                 1.6990
  Dep-P Fr= 1--      0.1509                 0.7083                 0.5038
  Dep-U Fr= 1--      0.2622                 0.8293                 0.6700
 Alpha2 Fr= 1--      0.0230                 0.0050                 0.0082
 Beta2  Fr= 1--      0.0651                 0.9495                 0.1897
 AlphaG Fr= 1--      0.0033                -0.0002                -0.0116
 Gamma2 Fr= 1--     -0.1464                 0.0508                -0.0782
 Delta2 Fr= 1--     -0.0588                 0.4442                -0.3128
 Raman1 Fr= 1--       5.961                 27.480                  6.796
 ROA1   Fr= 1--     -15.936                 19.094                -17.515
 CID1   Fr= 1--      -2.673                  0.695                 -2.577
 Raman2 Fr= 1--       0.781                 11.394                  2.277
 ROA2   Fr= 1--      -3.043                 -2.334                  0.626
 CID2   Fr= 1--      -3.894                 -0.205                  0.275
 Raman3 Fr= 1--       1.563                 22.788                  4.553
 ROA3   Fr= 1--     -15.936                 19.094                -17.515
 CID3   Fr= 1--     -10.196                  0.838                 -3.847
 RC180  Fr= 1--      -0.476                  0.659                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.09     0.02   0.02  -0.05     0.05  -0.01   0.02
     2   6    -0.00  -0.12  -0.11    -0.13  -0.07   0.01     0.04  -0.07   0.07
     3   6    -0.00   0.09   0.02     0.01   0.04   0.03     0.01  -0.01   0.00
     4   8     0.03  -0.02  -0.01     0.01  -0.00  -0.01     0.01   0.03  -0.00
     5   8    -0.02  -0.03  -0.04     0.00   0.02   0.01    -0.01  -0.01  -0.02
     6   7    -0.00   0.01   0.05     0.02   0.00   0.01    -0.00   0.01  -0.07
     7   8    -0.03  -0.01   0.00    -0.02  -0.00  -0.00    -0.03   0.00   0.01
     8   1    -0.19   0.24  -0.17     0.72   0.29   0.17    -0.27   0.59  -0.01
     9   1     0.12  -0.01   0.02     0.40  -0.14   0.08    -0.18   0.09  -0.01
    10   1     0.28  -0.01   0.12    -0.30   0.00  -0.09    -0.31   0.16  -0.01
    11   1     0.06  -0.24  -0.02     0.05  -0.20   0.00     0.07  -0.32   0.02
    12   1    -0.18   0.37  -0.01    -0.06   0.02  -0.03     0.12  -0.32  -0.03
    13   1     0.12  -0.27  -0.13    -0.02  -0.07   0.02    -0.17   0.31   0.15
    14   1    -0.22   0.47   0.33     0.04  -0.09  -0.06    -0.06   0.10   0.08
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1426.5506              1439.6075              1522.2237
 Red. masses --      1.3598                 1.5048                 1.0836
 Frc consts  --      1.6304                 1.8375                 1.4793
 IR Inten    --    260.8110                 6.9666                 2.6525
 RamAct Fr= 1--      2.5481                 2.3326                 4.4499
  Dep-P Fr= 1--      0.0618                 0.6272                 0.7464
  Dep-U Fr= 1--      0.1165                 0.7709                 0.8548
 Alpha2 Fr= 1--      0.0489                 0.0052                 0.0003
 Beta2  Fr= 1--      0.0495                 0.2997                 0.6339
 AlphaG Fr= 1--     -0.0020                 0.0051                 0.0031
 Gamma2 Fr= 1--      0.2760                 0.1790                -0.1289
 Delta2 Fr= 1--      0.0798                -0.4091                -0.1837
 Raman1 Fr= 1--      10.192                  9.330                 17.799
 ROA1   Fr= 1--      29.049                  4.093                -18.250
 CID1   Fr= 1--       2.850                  0.439                 -1.025
 Raman2 Fr= 1--       0.594                  3.596                  7.607
 ROA2   Fr= 1--       5.986                  7.569                 -1.623
 CID2   Fr= 1--      10.085                  2.105                 -0.213
 Raman3 Fr= 1--       1.187                  7.192                 15.215
 ROA3   Fr= 1--      29.049                  4.093                -18.250
 CID3   Fr= 1--      24.470                  0.569                 -1.199
 RC180  Fr= 1--      -0.767                  0.542                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.00   0.02    -0.14   0.04  -0.04    -0.02  -0.05  -0.06
     2   6    -0.01  -0.05   0.02     0.07  -0.08   0.03    -0.01  -0.01  -0.00
     3   6    -0.02   0.10   0.01    -0.01   0.06  -0.00    -0.01   0.01   0.00
     4   8    -0.02  -0.09   0.01     0.00  -0.03   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.01  -0.02     0.01   0.03   0.04     0.00  -0.01  -0.01
     6   7     0.00   0.00  -0.01    -0.01   0.01  -0.03    -0.00   0.00   0.00
     7   8     0.05  -0.02  -0.01    -0.00  -0.01   0.00     0.01  -0.00  -0.00
     8   1     0.02   0.19   0.02    -0.23   0.33  -0.04     0.04   0.01   0.01
     9   1    -0.05   0.01  -0.06     0.47  -0.24   0.07    -0.03   0.16   0.69
    10   1    -0.21   0.04  -0.01     0.53  -0.26   0.02     0.24   0.65   0.05
    11   1    -0.19   0.89  -0.01    -0.01   0.09  -0.00    -0.01   0.05  -0.00
    12   1     0.01  -0.07  -0.01     0.07  -0.14   0.00     0.00   0.01   0.00
    13   1    -0.05   0.06   0.04    -0.05   0.16   0.05     0.00  -0.00  -0.00
    14   1    -0.05   0.18   0.09     0.12  -0.25  -0.17     0.00   0.01  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1681.7202              1830.5424              3013.8551
 Red. masses --      1.0843                 9.2152                 1.0662
 Frc consts  --      1.8068                18.1935                 5.7060
 IR Inten    --     23.5558               315.4206                22.1728
 RamAct Fr= 1--      2.0107                16.3259               153.1989
  Dep-P Fr= 1--      0.5837                 0.3138                 0.1017
  Dep-U Fr= 1--      0.7371                 0.4777                 0.1847
 Alpha2 Fr= 1--      0.0063                 0.1606                 2.6709
 Beta2  Fr= 1--      0.2470                 1.2998                 4.7157
 AlphaG Fr= 1--     -0.0031                -0.1259                 0.2637
 Gamma2 Fr= 1--     -0.1456                -0.2554                -2.7372
 Delta2 Fr= 1--      0.1268                -0.1399                -3.1088
 Raman1 Fr= 1--       8.043                 65.304                612.796
 ROA1   Fr= 1--      -9.922                -28.995               -362.254
 CID1   Fr= 1--      -1.234                 -0.444                 -0.591
 Raman2 Fr= 1--       2.964                 15.598                 56.588
 ROA2   Fr= 1--      -4.510                 -5.011                -40.823
 CID2   Fr= 1--      -1.521                 -0.321                 -0.721
 Raman3 Fr= 1--       5.928                 31.196                113.176
 ROA3   Fr= 1--      -9.922                -28.995               -362.254
 CID3   Fr= 1--      -1.674                 -0.929                 -3.201
 RC180  Fr= 1--       0.474                 -0.045                 -0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00    -0.01  -0.01  -0.00    -0.00  -0.01  -0.07
     2   6    -0.02  -0.02   0.00    -0.03  -0.01   0.01    -0.00   0.00   0.03
     3   6    -0.00   0.00   0.00     0.67   0.01  -0.18     0.00   0.00   0.00
     4   8    -0.00   0.00  -0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     5   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   7    -0.06   0.04   0.01    -0.01   0.01   0.00    -0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00    -0.42  -0.01   0.11    -0.00  -0.00   0.00
     8   1    -0.00   0.04   0.01    -0.04  -0.09  -0.00     0.07  -0.01  -0.31
     9   1     0.01   0.00   0.00    -0.00  -0.02   0.02     0.13   0.27  -0.09
    10   1    -0.02   0.00   0.00     0.03   0.03   0.00    -0.12  -0.08   0.88
    11   1     0.00  -0.01   0.00    -0.09   0.54  -0.00    -0.01   0.00   0.00
    12   1     0.57  -0.31   0.30     0.04   0.03   0.03    -0.00  -0.00   0.00
    13   1     0.44  -0.17  -0.50     0.03   0.03  -0.03     0.00   0.00   0.00
    14   1    -0.01   0.01   0.01     0.01   0.03   0.01     0.00  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3036.4771              3086.1292              3493.2685
 Red. masses --      1.0800                 1.1019                 1.0520
 Frc consts  --      5.8668                 6.1836                 7.5635
 IR Inten    --     22.2558                23.0926                 5.6710
 RamAct Fr= 1--     34.2492                79.7306                86.4636
  Dep-P Fr= 1--      0.3992                 0.3708                 0.0626
  Dep-U Fr= 1--      0.5706                 0.5410                 0.1178
 Alpha2 Fr= 1--      0.2544                 0.6534                 1.6572
 Beta2  Fr= 1--      3.2570                 7.1895                 1.6982
 AlphaG Fr= 1--      0.0618                 0.2358                -0.0544
 Gamma2 Fr= 1--      0.0344                 3.7405                -0.3863
 Delta2 Fr= 1--     -2.0165                 3.9325                -0.8132
 Raman1 Fr= 1--     136.997                318.923                345.854
 ROA1   Fr= 1--     -61.229                484.931                -63.110
 CID1   Fr= 1--      -0.447                  1.521                 -0.182
 Raman2 Fr= 1--      39.084                 86.274                 20.379
 ROA2   Fr= 1--      16.957                 58.313                 -2.766
 CID2   Fr= 1--       0.434                  0.676                 -0.136
 Raman3 Fr= 1--      78.168                172.549                 40.757
 ROA3   Fr= 1--     -61.229                484.931                -63.110
 CID3   Fr= 1--      -0.783                  2.810                 -1.548
 RC180  Fr= 1--       0.141                  0.082                 -0.764
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02    -0.04  -0.07   0.05    -0.00  -0.00  -0.00
     2   6     0.02  -0.00  -0.08    -0.00  -0.00   0.01     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.05  -0.00  -0.03
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1    -0.18   0.02   0.92     0.02  -0.00  -0.12    -0.00   0.00   0.01
     9   1     0.10   0.20  -0.06     0.40   0.81  -0.21     0.00   0.00  -0.00
    10   1    -0.03  -0.03   0.26     0.03   0.02  -0.35     0.00  -0.00   0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.02  -0.00   0.00
    12   1     0.01   0.01  -0.02     0.00  -0.00   0.00    -0.39  -0.06   0.76
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.34   0.08  -0.38
    14   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3516.6006              3562.2513              3820.1123
 Red. masses --      1.0670                 1.0892                 1.0667
 Frc consts  --      7.7740                 8.1431                 9.1715
 IR Inten    --    357.2883                 8.5247                56.3317
 RamAct Fr= 1--     62.2281                51.2744               112.1883
  Dep-P Fr= 1--      0.1446                 0.5408                 0.2188
  Dep-U Fr= 1--      0.2526                 0.7019                 0.3591
 Alpha2 Fr= 1--      0.9753                 0.2063                 1.4487
 Beta2  Fr= 1--      2.6201                 5.9986                 6.7139
 AlphaG Fr= 1--      0.0460                 0.3266                -0.1609
 Gamma2 Fr= 1--      1.7837                -1.6448                 0.5153
 Delta2 Fr= 1--     -0.7352                 0.1508                 1.4894
 Raman1 Fr= 1--     248.912                205.098                448.753
 ROA1   Fr= 1--     147.712               -153.075                 97.133
 CID1   Fr= 1--       0.593                 -0.746                  0.216
 Raman2 Fr= 1--      31.442                 71.983                 80.567
 ROA2   Fr= 1--      48.691                -40.681                  0.453
 CID2   Fr= 1--       1.549                 -0.565                  0.006
 Raman3 Fr= 1--      62.884                143.966                161.134
 ROA3   Fr= 1--     147.712               -153.075                 97.133
 CID3   Fr= 1--       2.349                 -1.063                  0.603
 RC180  Fr= 1--      -0.495                  0.404                 -0.282
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   8    -0.06  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.05   0.01  -0.04
     6   7     0.00  -0.00  -0.00    -0.02   0.01  -0.07     0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1     0.97   0.16  -0.16    -0.02  -0.00   0.00    -0.02  -0.00   0.00
    12   1    -0.01  -0.00   0.02    -0.26  -0.05   0.44    -0.00   0.00   0.00
    13   1     0.00   0.00   0.00     0.60  -0.12   0.60     0.00  -0.00   0.00
    14   1     0.02   0.00   0.01    -0.00   0.00  -0.00     0.81  -0.10   0.57

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.21772 721.620721173.27663
           X            0.99727  -0.07214   0.01583
           Y            0.07211   0.99739   0.00201
           Z           -0.01594  -0.00087   0.99987
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16428     0.12003     0.07382
 Rotational constants (GHZ):           3.42314     2.50096     1.53821
 Zero-point vibrational energy     296660.6 (Joules/Mol)
                                   70.90358 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     69.01   139.32   218.01   379.35   420.69
          (Kelvin)            449.56   500.01   600.85   771.18   881.34
                             1057.71  1096.42  1170.51  1292.79  1425.96
                             1479.52  1520.32  1661.82  1695.71  1748.90
                             1781.01  1846.74  1925.00  2008.62  2052.49
                             2071.27  2190.14  2419.62  2633.74  4336.27
                             4368.81  4440.25  5026.03  5059.60  5125.29
                             5496.29
 
 Zero-point correction=                           0.112992 (Hartree/Particle)
 Thermal correction to Energy=                    0.120893
 Thermal correction to Enthalpy=                  0.121838
 Thermal correction to Gibbs Free Energy=         0.080291
 Sum of electronic and zero-point Energies=           -399.037696
 Sum of electronic and thermal Energies=              -399.029794
 Sum of electronic and thermal Enthalpies=            -399.028850
 Sum of electronic and thermal Free Energies=         -399.070397
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   75.862             27.267             87.443
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.592
 Vibrational             74.084             21.306             19.986
 Vibration     1          0.595              1.978              4.899
 Vibration     2          0.603              1.951              3.517
 Vibration     3          0.619              1.901              2.653
 Vibration     4          0.670              1.740              1.637
 Vibration     5          0.688              1.688              1.460
 Vibration     6          0.701              1.650              1.349
 Vibration     7          0.725              1.580              1.177
 Vibration     8          0.781              1.432              0.900
 Vibration     9          0.891              1.170              0.574
 Vibration    10          0.972              1.005              0.429
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.117181D-36        -36.931141        -85.037096
 Total V=0       0.110038D+16         15.041545         34.634436
 Vib (Bot)       0.115787D-49        -49.936339       -114.982669
 Vib (Bot)    1  0.431053D+01          0.634531          1.461061
 Vib (Bot)    2  0.212068D+01          0.326474          0.751735
 Vib (Bot)    3  0.133763D+01          0.126335          0.290896
 Vib (Bot)    4  0.735346D+00         -0.133508         -0.307414
 Vib (Bot)    5  0.653175D+00         -0.184970         -0.425910
 Vib (Bot)    6  0.604309D+00         -0.218741         -0.503669
 Vib (Bot)    7  0.531747D+00         -0.274295         -0.631588
 Vib (Bot)    8  0.421229D+00         -0.375482         -0.864579
 Vib (Bot)    9  0.296705D+00         -0.527676         -1.215018
 Vib (Bot)   10  0.240610D+00         -0.618686         -1.424578
 Vib (V=0)       0.108729D+03          2.036347          4.688863
 Vib (V=0)    1  0.483943D+01          0.684794          1.576797
 Vib (V=0)    2  0.267882D+01          0.427944          0.985378
 Vib (V=0)    3  0.192802D+01          0.285112          0.656494
 Vib (V=0)    4  0.138923D+01          0.142775          0.328751
 Vib (V=0)    5  0.132258D+01          0.121422          0.279584
 Vib (V=0)    6  0.128434D+01          0.108680          0.250245
 Vib (V=0)    7  0.122990D+01          0.089870          0.206933
 Vib (V=0)    8  0.115378D+01          0.062125          0.143047
 Vib (V=0)    9  0.108141D+01          0.033989          0.078263
 Vib (V=0)   10  0.105488D+01          0.023204          0.053428
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.239164D+06          5.378695         12.384904
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        333             333                                       1    1    1 111 1 11111  11                                  
     8        554             000                                       8    6    5 443 3 22211  00 9  8 8 77   6  5   4 3322  1     
     2        619             831                                       3    8    2 429 3 83175  52 9  9 1 63   1  3   1 4196  5 9 4 
     0        273             664                                       1    2    2 076 8 48695  78 1  9 4 25   3  6   8 8224  2 7 8 
 
     X        XXX             XXX                                       X    X    X XXX X XXXXX  XX X  X X XX   X  X   X XXXX  X X X 
     X         X                                                        X            XX   X XX    X    X   X              XX       X 
     X         X                                                        X            X      XX    X    X   X               X         
               X                                                        X            X            X    X   X               X         
               X                                                        X            X            X    X                   X         
               X                                                        X            X            X    X                             
               X                                                        X            X                 X                             
               X                                                        X            X                 X                             
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X            X                                               
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                        X                                                            
               X                                                                                                                     
               X                                                                                                                     
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015251    0.000001104    0.000009506
      2        6          -0.000001430    0.000022009   -0.000005280
      3        6           0.000028584   -0.000015838    0.000000386
      4        8          -0.000005131    0.000007491    0.000005994
      5        8           0.000017740   -0.000016905   -0.000010023
      6        7          -0.000011560   -0.000009771   -0.000002763
      7        8          -0.000008676    0.000004067   -0.000000953
      8        1           0.000009765   -0.000007526    0.000002065
      9        1          -0.000000072   -0.000002701   -0.000001350
     10        1           0.000002505   -0.000000890   -0.000001754
     11        1          -0.000011826    0.000012013   -0.000001744
     12        1          -0.000002259    0.000003945    0.000002929
     13        1          -0.000002064    0.000004448   -0.000000436
     14        1          -0.000000325   -0.000001446    0.000003424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000028584 RMS     0.000009239
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.686703D+02 -0.201103D+01 -0.103937D+01
      2  -0.201103D+01  0.628613D+02  0.648123D+00
      3  -0.103937D+01  0.648123D+00  0.484729D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.363348D+01 -0.185430D+01 -0.171068D+02
      2   0.505930D+01  0.133668D+01  0.376353D+01
      3   0.105829D+02 -0.199817D+00  0.162397D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.127030D+01 -0.242090D+02  0.924242D+01
      2   0.153473D+01  0.390548D+02 -0.801397D+01
      3  -0.280504D+01 -0.148458D+02 -0.122845D+01
      4   0.159568D+02  0.278003D+01  0.758177D+01
      5   0.126953D+02  0.386123D+01  0.753712D+01
      6   0.692943D+01 -0.135621D+01  0.312912D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.277270D+01  0.112202D+01  0.177322D+01  0.685127D+00 -0.483041D+01
      2   0.112202D+01 -0.276988D+01  0.269976D+00 -0.483041D+01 -0.346099D+01
      3   0.177322D+01  0.269976D+00  0.164013D+01 -0.113696D+00  0.115973D+01
                 6             7             8             9            10 
      1  -0.113696D+00  0.279026D+01  0.563595D-01  0.986525D+00 -0.439014D+01
      2   0.115973D+01  0.563595D-01  0.215005D+01 -0.281151D+00  0.148557D+00
      3   0.952049D-01  0.986525D+00 -0.281151D+00 -0.687509D+01 -0.105054D+01
                11            12            13            14            15 
      1   0.148557D+00 -0.105054D+01 -0.155890D+01  0.333100D+01  0.319050D+00
      2   0.395053D+01  0.539302D-01  0.333100D+01  0.376287D+01 -0.148409D+00
      3   0.539302D-01 -0.180858D+01  0.319050D+00 -0.148409D+00  0.518047D+00
                16            17            18            19            20 
      1  -0.150153D+01 -0.277295D-01 -0.191356D+01  0.772255D+01  0.303543D+00
      2  -0.277295D-01 -0.147883D+01  0.620397D-01  0.303543D+00 -0.195802D+01
      3  -0.191356D+01  0.620397D-01  0.647067D+01 -0.141483D+01 -0.462244D+00
                21            22            23            24            25 
      1  -0.141483D+01  0.173625D+00 -0.304734D+01 -0.317120D+00 -0.184350D+01
      2  -0.462244D+00 -0.304734D+01 -0.211612D+01  0.312140D+00 -0.318256D+00
      3   0.875223D+00 -0.317120D+00  0.312140D+00 -0.584132D+00  0.845024D+00
                26            27            28            29            30 
      1  -0.318256D+00  0.845024D+00 -0.446499D+01 -0.292013D+01  0.326084D+00
      2   0.629612D+00 -0.431227D+00 -0.292013D+01 -0.241964D+00 -0.109471D+00
      3  -0.431227D+00 -0.119379D+01  0.326084D+00 -0.109471D+00  0.125768D+00
                31            32            33            34            35 
      1  -0.139803D+01  0.182548D+01 -0.940674D-01  0.851755D+00  0.268398D-01
      2   0.182548D+01 -0.816443D+01 -0.521205D+00  0.268398D-01  0.147973D+00
      3  -0.940674D-01 -0.521205D+00 -0.111957D+01  0.510719D+00 -0.188204D+01
                36            37            38            39            40 
      1   0.510719D+00 -0.211614D+01 -0.124107D+01 -0.277572D+01 -0.193282D+01
      2  -0.188204D+01 -0.124107D+01  0.793544D-01  0.442389D+00  0.214570D+01
      3  -0.279281D+00 -0.277572D+01  0.442389D+00 -0.961303D+00  0.406721D+00
                41            42            43            44            45 
      1   0.214570D+01  0.406721D+00 -0.531886D+01  0.125852D+01 -0.305061D+00
      2  -0.240466D+01 -0.925129D+00  0.125852D+01 -0.162838D+01 -0.620602D+00
      3  -0.925129D+00 -0.903462D-01 -0.305061D+00 -0.620602D+00 -0.160870D+01
                46            47            48            49            50 
      1   0.327866D+01 -0.521499D+00  0.100718D+01  0.470667D+00 -0.197306D+01
      2  -0.521499D+00 -0.896634D+00 -0.252894D+00 -0.197306D+01  0.470232D+01
      3   0.100718D+01 -0.252894D+00  0.366673D+01 -0.653898D+00  0.117620D+00
                51            52            53            54            55 
      1  -0.653898D+00  0.150359D+01 -0.633408D+00  0.360339D+01 -0.144448D+02
      2   0.117620D+00 -0.633408D+00 -0.944178D-02  0.790598D+00 -0.884774D+00
      3   0.526677D+00  0.360339D+01  0.790598D+00 -0.176571D+01  0.176710D+01
                56            57            58            59            60 
      1  -0.884774D+00  0.176710D+01 -0.108549D+01 -0.223422D+01  0.252984D+00
      2  -0.305623D+01  0.222237D+00 -0.223422D+01 -0.165734D-01  0.495597D+00
      3   0.222237D+00 -0.244444D+01  0.252984D+00  0.495597D+00  0.233140D+00
                61            62            63            64            65 
      1   0.241068D+01  0.369024D+00 -0.350965D+01  0.167408D+01  0.274548D+00
      2   0.369024D+00  0.890965D+00 -0.257653D+00  0.274548D+00 -0.334042D+00
      3  -0.350965D+01 -0.257653D+00  0.216828D+01 -0.102034D+01 -0.183437D-01
                66            67            68            69            70 
      1  -0.102034D+01  0.138388D+00 -0.363712D+00 -0.337325D-01 -0.169549D+01
      2  -0.183437D-01 -0.363712D+00  0.922605D-01 -0.112398D+01 -0.551269D-02
      3   0.142244D+01 -0.337325D-01 -0.112398D+01 -0.326541D-01  0.115232D+01
                71            72            73            74            75 
      1  -0.551269D-02  0.115232D+01  0.228963D+01  0.200001D+01 -0.514848D+00
      2  -0.159337D+01  0.398320D+00  0.200001D+01  0.249412D+01 -0.142833D+00
      3   0.398320D+00 -0.825735D+01 -0.514848D+00 -0.142833D+00  0.439722D+00
                76            77            78            79            80 
      1   0.304771D+01  0.307643D+01 -0.163253D-01 -0.117139D+01 -0.396440D+00
      2   0.307643D+01  0.705966D+01 -0.485326D+00 -0.396440D+00 -0.136442D+01
      3  -0.163253D-01 -0.485326D+00  0.949395D+00  0.513096D+00  0.110943D+01
                81            82            83            84            85 
      1   0.513096D+00 -0.646020D+00  0.149045D+00  0.887501D+00 -0.258771D+00
      2   0.110943D+01  0.149045D+00  0.203571D+00 -0.224409D+00  0.452882D+00
      3   0.213267D+00  0.887501D+00 -0.224409D+00 -0.114327D+01 -0.566237D-01
                86            87            88            89            90 
      1   0.452882D+00 -0.566237D-01  0.167695D+01 -0.220363D+00  0.406748D+00
      2   0.347556D+00  0.976019D+00 -0.220363D+00  0.122133D+01  0.631907D+00
      3   0.976019D+00 -0.273971D+00  0.406748D+00  0.631907D+00  0.849997D+01
                91            92            93            94            95 
      1   0.666382D+01  0.767971D+00 -0.225963D+00  0.929342D+00  0.111686D+01
      2   0.767971D+00  0.273526D+01  0.217312D+00  0.111686D+01 -0.818203D+00
      3  -0.225963D+00  0.217312D+00  0.677034D+00  0.125895D+00 -0.108617D+00
                96            97            98            99           100 
      1   0.125895D+00 -0.756655D+00  0.154898D+00  0.447319D+00 -0.200821D+01
      2  -0.108617D+00  0.154898D+00 -0.322949D+00 -0.561269D+00  0.766469D+00
      3  -0.516629D+00  0.447319D+00 -0.561269D+00 -0.432223D+00  0.143450D+01
               101           102           103           104           105 
      1   0.766469D+00  0.143450D+01  0.470364D+00 -0.195239D-01 -0.153876D+00
      2  -0.633854D+00 -0.437766D+00 -0.195239D-01  0.660595D+00  0.155630D+00
      3  -0.437766D+00 -0.206018D+01 -0.153876D+00  0.155630D+00 -0.162271D+00
               106           107           108           109           110 
      1   0.242881D+01 -0.490558D+00 -0.229336D+01 -0.448695D+01  0.180009D+01
      2  -0.490558D+00  0.171271D+01  0.609686D+00  0.180009D+01 -0.106114D+01
      3  -0.229336D+01  0.609686D+00  0.452045D+01 -0.218473D+01  0.811792D+00
               111           112           113           114           115 
      1  -0.218473D+01  0.165899D+01 -0.566209D+00  0.698048D+00 -0.342768D+01
      2   0.811792D+00 -0.566209D+00  0.136572D+01 -0.295088D+00  0.106111D+01
      3  -0.216328D+01  0.698048D+00 -0.295088D+00  0.736877D+00 -0.254134D+01
               116           117           118           119           120 
      1   0.106111D+01 -0.254134D+01  0.815584D+01 -0.176477D+01  0.199139D+01
      2  -0.132498D+01  0.931326D+00 -0.176477D+01  0.148892D+01 -0.369674D+00
      3   0.931326D+00 -0.281371D+01  0.199139D+01 -0.369674D+00  0.173401D+01
               121           122           123           124           125 
      1  -0.134021D+01  0.108612D+01 -0.363358D+00  0.405307D+01 -0.834485D+00
      2   0.108612D+01 -0.100998D+01  0.391019D+00 -0.834485D+00  0.969721D+00
      3  -0.363358D+00  0.391019D+00 -0.279767D+00  0.209783D+01 -0.499364D+00
               126 
      1   0.209783D+01
      2  -0.499364D+00
      3   0.135322D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.252374D+01 -0.296820D+01 -0.309859D+01 -0.356387D+01 -0.291776D+01
      2   0.444485D+01  0.376449D+00  0.269334D+01 -0.112198D+01  0.345529D+01
      3   0.309346D+01  0.564004D+01  0.121010D+01  0.784104D+01 -0.368196D+01
                 6             7             8             9            10 
      1   0.232630D-01 -0.159593D+01  0.276901D+01  0.750474D+01  0.251124D+01
      2   0.129180D+01 -0.228067D+01 -0.561792D+00 -0.750216D+01 -0.136535D+01
      3  -0.100616D+01  0.283775D+01 -0.234775D+01  0.166423D+01 -0.916879D+00
                11            12            13            14            15 
      1  -0.165340D+01 -0.319207D+00 -0.218901D+01 -0.219290D+01 -0.251856D+01
      2  -0.187523D+00  0.114838D+01  0.658603D-01  0.652994D+00  0.169195D+01
      3  -0.367538D+01 -0.984692D+00  0.112671D+01  0.186159D+01  0.977503D+00
                16            17            18            19            20 
      1   0.155938D+01  0.453596D+01 -0.240160D+01 -0.165886D+01  0.764792D+01
      2  -0.455551D+01 -0.427571D+00 -0.806056D-01 -0.268777D+01 -0.176943D+01
      3  -0.186212D+01  0.178453D+00 -0.150217D+01 -0.520804D+01  0.101769D+01
                21            22            23            24            25 
      1   0.251217D+00  0.313648D+01  0.448744D+01  0.556693D+01  0.283000D+01
      2  -0.887332D+01 -0.161305D+01 -0.761349D+00  0.451290D+00 -0.116633D+02
      3   0.130665D+01  0.288472D+01  0.379432D+00 -0.204300D+01  0.204970D+01
                26            27            28            29            30 
      1   0.168411D+02 -0.153911D+01  0.114038D+01 -0.161133D+01 -0.450745D-01
      2  -0.375782D+01  0.511653D+01 -0.187217D+01 -0.245186D+00  0.340891D+01
      3  -0.528504D+01 -0.624909D+00  0.148982D+02  0.281337D+01 -0.757541D+00
                31            32            33            34            35 
      1   0.352655D+00  0.104868D+01 -0.776630D+01 -0.730044D+00 -0.387550D+01
      2  -0.477715D+00  0.127352D+00 -0.178655D+01 -0.202218D+01  0.234823D+01
      3   0.118502D+02 -0.145662D+01 -0.107051D+00 -0.276810D+01  0.835531D+00
                36            37            38            39            40 
      1   0.315199D+00 -0.252794D+01  0.539567D+00  0.113444D+01  0.128271D+01
      2  -0.417972D+00 -0.823319D+01  0.269672D+01  0.123766D+01  0.228306D+01
      3  -0.140317D+01  0.575337D+01 -0.781879D+01 -0.178222D+00  0.297018D+00
                41            42            43            44            45 
      1  -0.100414D+01 -0.430080D+01 -0.139422D+01  0.329051D+01 -0.206692D+01
      2  -0.277659D+01 -0.140684D+01 -0.579290D+01 -0.799965D-01 -0.574401D+01
      3   0.778964D+01  0.199111D+01 -0.197777D+00  0.509224D+01  0.170272D+01
                46            47            48            49            50 
      1  -0.247468D+01  0.142697D+01 -0.815845D+01  0.248100D+01 -0.185056D+01
      2  -0.152936D+01  0.153766D+01 -0.219486D+00  0.100173D+01 -0.110998D+01
      3   0.885221D+01 -0.596622D+01  0.149692D+01  0.522317D+01 -0.770541D+00
                51            52            53            54            55 
      1  -0.591340D+01 -0.992600D+01  0.215253D+01  0.308214D+01  0.231965D+01
      2  -0.819016D+00 -0.678869D+01  0.224354D+01  0.102505D+01 -0.797773D+00
      3  -0.135338D+01  0.233375D+01 -0.206056D+01  0.981790D+01  0.957509D+01
                56            57            58            59            60 
      1  -0.332522D+01 -0.211830D+01 -0.708466D+00 -0.126437D+00 -0.378927D+01
      2  -0.684708D-01  0.122746D+02  0.873578D+00 -0.532595D+00  0.135335D+01
      3  -0.129377D+02 -0.111563D+01  0.332556D+00  0.131661D+01  0.858020D+00
                61            62            63            64            65 
      1  -0.394579D+01 -0.722787D+00  0.218735D+01  0.499263D+00 -0.101373D+00
      2   0.151761D+01  0.175351D+01 -0.422867D+01  0.125366D+01  0.301904D+00
      3  -0.942020D+00  0.410062D+01  0.282423D+01  0.120814D+01 -0.676645D+00
                66            67            68            69            70 
      1  -0.744538D+00  0.386729D+00  0.702063D+00 -0.147647D+00 -0.116043D+01
      2   0.722585D+00 -0.254874D+00 -0.190711D+00 -0.100038D+00 -0.281198D+01
      3  -0.585715D+00  0.139103D+01 -0.303327D+00 -0.263047D+00 -0.828245D+00
                71            72            73            74            75 
      1   0.245958D+01  0.490935D+01  0.150366D+01  0.133420D+01 -0.119212D+01
      2   0.385542D+00 -0.525865D-01 -0.100802D+01 -0.982993D+00  0.179440D+01
      3   0.623031D+00  0.385595D+00  0.370566D+00 -0.262237D+01 -0.403128D+00
                76            77            78            79            80 
      1   0.991740D+00  0.305631D+01 -0.360344D+01 -0.433487D+00 -0.990430D+00
      2  -0.554243D+00 -0.133958D+01  0.217937D+01 -0.313109D-01  0.142463D+01
      3   0.279390D+01 -0.741168D+01  0.777895D+00 -0.172073D+01  0.157701D+01
                81            82            83            84            85 
      1   0.309745D+00 -0.766519D+00 -0.113882D+00  0.841502D+00  0.295934D+00
      2  -0.190479D+00  0.206850D+01 -0.492114D+00 -0.879897D+00  0.248247D+00
      3  -0.883033D+00 -0.130826D+01 -0.773236D+00  0.917741D+00  0.299670D+00
                86            87            88            89            90 
      1  -0.801734D+00  0.252736D+00 -0.408237D+00  0.322413D+01 -0.794972D+01
      2   0.103430D+01 -0.240539D+00 -0.399199D+01  0.130881D+01  0.108242D+02
      3   0.379815D+00 -0.109859D+01  0.176604D+01 -0.164431D+01 -0.935433D+00
                91            92            93            94            95 
      1  -0.114622D+01 -0.257878D+00  0.215661D+01  0.170671D-01 -0.117183D+00
      2   0.288536D+01  0.899141D+00 -0.840461D+00  0.759935D+00  0.256831D+00
      3  -0.212631D+02 -0.283756D+01  0.453463D+00 -0.335060D+01 -0.798106D+00
                96            97            98            99           100 
      1   0.155717D+00  0.160270D+01  0.760946D+00 -0.447048D+00 -0.335078D+01
      2  -0.107896D+01 -0.232796D+01 -0.297676D+00 -0.300976D+00 -0.726194D+00
      3  -0.224564D+00  0.169641D+01 -0.278337D+00 -0.609045D+00 -0.400276D+01
               101           102           103           104           105 
      1   0.183495D+00  0.510538D+01  0.234562D+00 -0.110308D+01  0.576298D-01
      2   0.807779D+00  0.299848D+01  0.676480D+00  0.376182D+00  0.241878D-01
      3  -0.536476D+00  0.305857D+01  0.674186D+00 -0.142931D+00 -0.171398D+00
               106           107           108           109           110 
      1   0.592473D+01  0.792524D+00 -0.100680D+02  0.453960D+01 -0.100764D+01
      2   0.635337D+00 -0.103208D+01 -0.461130D+01  0.848270D+00 -0.968340D+00
      3   0.551848D+01  0.108310D+01 -0.524065D+01 -0.887277D+01  0.815060D+00
               111           112           113           114           115 
      1   0.506108D+01 -0.179498D+01  0.367182D+00 -0.157518D+01  0.541232D+01
      2   0.304497D+01 -0.670174D+00 -0.774280D-01 -0.718457D+00  0.866571D+00
      3  -0.426474D+01  0.342554D+01 -0.253996D+00  0.162444D+01 -0.706089D+01
               116           117           118           119           120 
      1  -0.202495D+00  0.571130D+01  0.193495D+01 -0.932311D-01  0.112604D+01
      2  -0.884944D+00  0.264990D+01  0.619909D+01 -0.158180D+01  0.572655D+01
      3   0.522157D+00 -0.514754D+01 -0.117334D+01 -0.387437D+01 -0.477357D+00
               121           122           123           124           125 
      1  -0.402436D+00  0.128325D+00 -0.678408D+00  0.125917D+01  0.397561D+00
      2  -0.121685D+01  0.885285D+00 -0.841538D+00  0.490876D+01 -0.141607D+01
      3  -0.450972D+00  0.208576D+01 -0.481896D+00 -0.822229D+00 -0.239616D+01
               126 
      1   0.776135D+00
      2   0.403322D+01
      3  -0.487198D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.154736D+01  0.123505D+01  0.154505D+01  0.116257D+02 -0.512116D+01
      2  -0.262313D+01 -0.203834D+01 -0.368941D+01 -0.147266D+02 -0.105823D+02
      3   0.417049D+01  0.803295D+00  0.214435D+01  0.310088D+01  0.157035D+02
      4   0.499544D+01 -0.109361D+02  0.452171D+01 -0.175541D+02 -0.185009D+02
      5   0.828404D+01  0.706669D+00  0.170216D+01 -0.316230D+01  0.299852D+01
      6   0.408297D+01  0.118556D+01  0.560905D+01  0.138407D+00 -0.130229D+00
                 6             7             8             9            10 
      1  -0.120225D+01  0.622930D+01 -0.475508D+00  0.122768D+02 -0.472059D+01
      2   0.404115D+01 -0.257678D+01  0.322107D+01  0.629447D+01  0.603310D+01
      3  -0.283890D+01 -0.365252D+01 -0.274556D+01 -0.185713D+02 -0.131251D+01
      4   0.326958D+01  0.234256D+01  0.587540D+01  0.349122D+00  0.133111D+00
      5   0.365037D+01  0.266884D+01  0.438569D+00 -0.126473D+02 -0.329713D+01
      6  -0.158406D+01  0.267676D+01  0.108622D+01 -0.881784D+01 -0.337164D+01
                11            12            13            14            15 
      1  -0.820356D+01 -0.343942D+01  0.111904D+01  0.194916D+01  0.858342D+00
      2   0.144897D+02  0.105350D+01  0.275504D+01 -0.255316D+01  0.331005D+00
      3  -0.628613D+01  0.238592D+01 -0.387408D+01  0.604006D+00 -0.118935D+01
      4  -0.139983D+01 -0.289271D+01 -0.177640D+01  0.468820D+01  0.169852D+00
      5  -0.734443D+00 -0.203230D+01  0.783797D+00  0.725008D+00  0.288733D+01
      6  -0.581875D+00  0.202738D+00  0.541157D+00  0.157882D+01 -0.345653D+00
                16            17            18            19            20 
      1  -0.520241D+01  0.142138D+01  0.835857D+01 -0.330340D+02 -0.829427D+01
      2  -0.765079D+00 -0.581453D+01  0.775301D+01  0.185167D+02  0.694769D+01
      3   0.596748D+01  0.439315D+01 -0.161116D+02  0.145173D+02  0.134658D+01
      4  -0.387935D+01 -0.109999D+01 -0.374655D+01 -0.119457D+02 -0.130095D+02
      5  -0.566235D+00 -0.157382D+01  0.495426D+01  0.620166D+01  0.396438D+00
      6  -0.430421D+01  0.227220D+00  0.706564D+01  0.283699D+01  0.210903D+01
                21            22            23            24            25 
      1   0.250440D+00 -0.147089D+01  0.100353D+02  0.613101D+00  0.842172D+01
      2  -0.497111D+01  0.255224D+01 -0.149687D+02 -0.178744D+01 -0.578253D+01
      3   0.472067D+01 -0.108135D+01  0.493339D+01  0.117434D+01 -0.263919D+01
      4   0.256117D+01 -0.216917D+01  0.783938D+01 -0.137861D+01  0.470470D+01
      5  -0.136804D+02 -0.572962D+00 -0.152082D+01  0.204414D+01  0.147498D+01
      6   0.151922D+01 -0.141894D+01 -0.346119D+01 -0.706670D+01 -0.156804D+01
                26            27            28            29            30 
      1  -0.120053D+01 -0.752200D+01 -0.212458D+01 -0.618992D+00 -0.827779D+00
      2   0.303437D+00 -0.343297D+01  0.696737D+01 -0.434995D+00  0.956829D+00
      3   0.897088D+00  0.109550D+02 -0.484280D+01  0.105399D+01 -0.129050D+00
      4   0.484100D+01 -0.862068D+00  0.563078D+01  0.158692D+02 -0.760224D+00
      5  -0.120236D+01  0.755133D+01 -0.402740D+00  0.708600D-01  0.614324D+01
      6   0.185236D+01  0.186867D+01 -0.173720D+01 -0.331276D+00 -0.156060D+01
                31            32            33            34            35 
      1  -0.869263D+00 -0.280888D+02 -0.195687D+01  0.143505D+00  0.207985D+00
      2  -0.183837D+01  0.410874D+02  0.157631D+01  0.659474D+00  0.165129D+00
      3   0.270764D+01 -0.129986D+02  0.380568D+00 -0.802979D+00 -0.373113D+00
      4   0.106649D+02 -0.500178D+00  0.133322D+01 -0.163989D+01 -0.740711D+00
      5   0.536169D+00  0.157738D+01 -0.189167D+01  0.339007D+01  0.137343D+01
      6   0.975365D+00  0.444382D+01  0.148019D+02 -0.209448D+01  0.129318D+02
                36            37            38            39            40 
      1  -0.851451D+01 -0.330441D+01 -0.327613D+00 -0.130127D+02 -0.850173D+01
      2   0.506930D+01  0.989347D+00 -0.232409D+01  0.886228D+01  0.589423D+01
      3   0.344522D+01  0.231507D+01  0.265170D+01  0.415043D+01  0.260750D+01
      4   0.608326D+00 -0.608868D+00  0.651404D+01  0.286036D+01  0.102947D+02
      5   0.161134D+00 -0.174974D+02  0.344898D+01  0.275244D+01  0.363304D+01
      6   0.144817D+01  0.235645D+01 -0.104516D+01 -0.134545D+01 -0.119440D+01
                41            42            43            44            45 
      1   0.488655D+00  0.112877D+01 -0.254603D+02  0.454657D+01 -0.532618D+01
      2   0.703898D+01 -0.158637D+01  0.154997D+02 -0.129493D+01 -0.186109D+01
      3  -0.752763D+01  0.457602D+00  0.996056D+01 -0.325164D+01  0.718727D+01
      4  -0.753016D+01 -0.402861D+01  0.644903D+01 -0.581218D+01 -0.119710D+01
      5  -0.479959D+01 -0.331088D+01  0.168726D+01 -0.294225D+01 -0.113726D+02
      6   0.884448D+00  0.587263D+01  0.860084D+00  0.360233D+01  0.280581D+01
                46            47            48            49            50 
      1  -0.219493D+01  0.800633D+01 -0.108904D+01  0.278462D+01 -0.133958D+02
      2   0.378786D+01 -0.125544D+02 -0.164893D+01 -0.662565D+01  0.271315D+02
      3  -0.159293D+01  0.454804D+01  0.273797D+01  0.384102D+01 -0.137357D+02
      4   0.129223D+02  0.351636D+01  0.365251D+01  0.947851D+01 -0.151045D+02
      5  -0.397747D+01  0.247664D+01 -0.723398D+01  0.139007D+01 -0.103769D+01
      6   0.481904D+01 -0.197926D+01  0.133530D+02 -0.312856D+01 -0.296134D+00
                51            52            53            54            55 
      1   0.134446D+01  0.200956D+00  0.820625D+00 -0.121900D+02  0.671889D+02
      2   0.646370D+00 -0.249663D+01  0.118433D+01  0.987158D+01 -0.400030D+02
      3  -0.199083D+01  0.229567D+01 -0.200496D+01  0.231839D+01 -0.271859D+02
      4  -0.281525D+01  0.469360D+01 -0.230392D+01  0.127731D+02  0.223628D+02
      5  -0.232481D+01 -0.714169D+01  0.296341D+01  0.209866D+01 -0.893764D+01
      6   0.725784D+01  0.155320D+02  0.885611D+01 -0.454137D+01 -0.246539D+01
                56            57            58            59            60 
      1   0.370659D+01 -0.398022D+01  0.237563D+01  0.349995D+01  0.430527D+00
      2   0.144481D+01  0.606563D+01  0.114450D+01  0.302123D+01 -0.180299D+00
      3  -0.515140D+01 -0.208540D+01 -0.352013D+01 -0.652117D+01 -0.250228D+00
      4   0.192357D+02 -0.221273D+01  0.163685D+02  0.604087D+01 -0.216990D+01
      5  -0.748755D+00  0.209973D+02 -0.235178D+00 -0.184890D+01  0.138856D+01
      6  -0.660928D+00  0.350976D+01 -0.149034D+01 -0.975914D+00  0.568798D+01
                61            62            63            64            65 
      1  -0.665273D+01  0.720368D+00  0.814665D+01  0.912129D-01  0.645516D+00
      2   0.692724D+01 -0.385990D+00 -0.103889D+02 -0.407382D+01 -0.640139D+00
      3  -0.274506D+00 -0.334378D+00  0.224227D+01  0.398261D+01 -0.537690D-02
      4  -0.262971D+01 -0.385539D+01  0.545059D+01  0.132972D+01  0.218943D+01
      5   0.195937D+02  0.225712D+01 -0.106392D+02 -0.165085D+01  0.125744D+00
      6   0.647052D+01  0.576453D+01 -0.378214D+01 -0.107913D+01 -0.895224D+00
                66            67            68            69            70 
      1   0.145268D+01  0.775299D-01 -0.329567D+01  0.539565D+00  0.159626D+01
      2   0.181037D+01  0.510586D+00  0.100320D+01 -0.220099D+01  0.303856D+01
      3  -0.326306D+01 -0.588116D+00  0.229247D+01  0.166143D+01 -0.463482D+01
      4  -0.957687D+00  0.234164D+01  0.555176D+00 -0.385141D+00 -0.123775D+01
      5   0.708294D+01  0.148846D+00 -0.112359D+01 -0.236114D+00  0.479179D+01
      6   0.144933D+01 -0.103294D+01 -0.143500D+01  0.570148D+01  0.194408D+01
                71            72            73            74            75 
      1   0.244470D+01 -0.172551D+02  0.740972D+01  0.399624D+01 -0.139655D+01
      2  -0.133052D+01 -0.149824D+02  0.128886D+01  0.358196D+01  0.115104D-01
      3  -0.111418D+01  0.322376D+02 -0.869858D+01 -0.757820D+01  0.138504D+01
      4   0.731509D+00  0.129775D+01  0.133141D+02  0.159806D+02 -0.143039D+01
      5   0.507110D+00 -0.479742D+01 -0.751676D+00  0.461665D-01  0.274765D+01
      6   0.516471D+01 -0.101593D+02 -0.602336D+00  0.285814D+00  0.163867D+01
                76            77            78            79            80 
      1   0.402940D+01 -0.575866D+01  0.412967D+00 -0.262585D+01  0.627192D+00
      2   0.567367D+01  0.232064D+02 -0.232945D+01  0.297726D+00 -0.338140D+01
      3  -0.970307D+01 -0.174477D+02  0.191648D+01  0.232812D+01  0.275421D+01
      4   0.188378D+02  0.306345D+02 -0.186324D+01 -0.343816D+01 -0.517784D+01
      5   0.741374D+00 -0.537708D+00  0.356700D+01  0.302333D+01  0.419162D+01
      6   0.969361D+00  0.837319D+00  0.469636D+01  0.223863D+01  0.516073D+01
                81            82            83            84            85 
      1  -0.238863D+01 -0.173817D+01  0.682391D+00  0.472403D+01 -0.173980D+01
      2   0.118239D+01 -0.113316D+01  0.605658D+00 -0.967917D+00  0.211801D+01
      3   0.120624D+01  0.287133D+01 -0.128805D+01 -0.375611D+01 -0.378213D+00
      4   0.477640D+01 -0.876894D-01  0.274008D+01  0.640608D+00  0.278591D+01
      5  -0.406439D+00  0.104430D+01  0.326852D-01  0.344867D+01 -0.145365D+00
      6  -0.784041D+00  0.866831D+00 -0.108517D+01 -0.205662D+01  0.192168D+00
                86            87            88            89            90 
      1  -0.209581D+01 -0.100284D+01  0.460140D+01 -0.323689D+01 -0.185602D+02
      2   0.628204D+00  0.194949D+01 -0.317618D+01  0.183276D+01 -0.141175D+02
      3   0.146761D+01 -0.946657D+00 -0.142522D+01  0.140414D+01  0.326777D+02
      4   0.197290D+01  0.194989D+01  0.166603D+01  0.255061D+01  0.252247D+01
      5   0.182971D+01 -0.116815D+01  0.585410D+01  0.152602D+01  0.188743D+02
      6   0.133202D+01  0.502168D+01  0.366039D+00  0.542984D+01  0.115432D+02
                91            92            93            94            95 
      1   0.386087D+01  0.935009D+01  0.141703D+01  0.205897D+01  0.624700D+00
      2  -0.373533D+01 -0.112431D+02 -0.717698D+00 -0.394519D+01  0.711964D+00
      3  -0.125542D+00  0.189298D+01 -0.699328D+00  0.188623D+01 -0.133666D+01
      4  -0.121072D+02 -0.978745D+00  0.132473D+01  0.726435D+00 -0.517411D+01
      5   0.385925D+00  0.477162D+00 -0.137500D+01  0.596373D+00 -0.567322D-01
      6   0.223074D+01 -0.103714D+01 -0.345780D+01 -0.277381D+00  0.306923D+00
                96            97            98            99           100 
      1   0.280822D+00  0.192296D-01 -0.544510D+00 -0.129388D+01  0.538590D+01
      2   0.711405D-01  0.958814D-01  0.556797D+00 -0.892323D-01 -0.268153D+01
      3  -0.351963D+00 -0.115111D+00 -0.122864D-01  0.138311D+01 -0.270437D+01
      4  -0.369963D+00  0.184251D+01 -0.102966D+00 -0.140133D+01 -0.881685D+01
      5  -0.199885D+01  0.139341D+01 -0.381789D+00 -0.916073D+00 -0.548908D+01
      6   0.463846D+00 -0.183130D+01  0.252806D+01  0.109944D+01  0.524249D+01
               101           102           103           104           105 
      1  -0.124398D+01 -0.248100D+01 -0.195205D+01 -0.238405D+01  0.602180D+00
      2  -0.128436D+00  0.212924D+01  0.138693D+01  0.377960D+01  0.624349D+00
      3   0.137241D+01  0.351761D+00  0.565125D+00 -0.139555D+01 -0.122653D+01
      4   0.561076D+01  0.537857D+01  0.257004D+01 -0.837861D-01 -0.160290D+01
      5   0.155945D+01  0.821353D+01  0.398632D+00 -0.101086D+01 -0.376000D-01
      6  -0.191530D+01 -0.844452D+01 -0.134218D+01 -0.228611D+00  0.156032D+01
               106           107           108           109           110 
      1  -0.389816D+01 -0.277025D+01  0.959016D+00  0.107857D+02 -0.263317D+01
      2   0.425387D+01  0.449017D+01 -0.656337D+01 -0.359632D+01 -0.880173D+00
      3  -0.355710D+00 -0.171992D+01  0.560435D+01 -0.718935D+01  0.351334D+01
      4   0.802975D+01 -0.379813D+01 -0.791583D+01 -0.190096D+02  0.106437D+02
      5   0.796432D+01 -0.233311D+01 -0.125380D+02  0.105812D+02 -0.414667D+01
      6  -0.887295D+01  0.288355D+01  0.160823D+02 -0.986447D+01  0.463569D+01
               111           112           113           114           115 
      1   0.418247D+01 -0.249136D+01 -0.286031D+01 -0.110576D+01  0.389043D+01
      2  -0.187371D+01 -0.230967D+00  0.569372D+01 -0.649990D+00 -0.287496D+01
      3  -0.230876D+01  0.272232D+01 -0.283341D+01  0.175575D+01 -0.101547D+01
      4  -0.907910D+01  0.806772D+01 -0.285019D+01  0.416251D+01 -0.119565D+02
      5   0.982134D+01 -0.213017D+01  0.208272D+01 -0.123790D+01  0.105493D+02
      6  -0.916512D+01  0.438095D+01 -0.129055D+01  0.455344D+01 -0.109235D+02
               116           117           118           119           120 
      1   0.107130D+01  0.173909D+01  0.455021D+02 -0.898199D+01  0.112692D+02
      2  -0.258833D+01 -0.400851D+01 -0.255171D+02  0.451449D+01 -0.632767D+01
      3   0.151703D+01  0.226942D+01 -0.199850D+02  0.446750D+01 -0.494152D+01
      4   0.518127D+01 -0.985891D+01 -0.101235D+02  0.688565D+01 -0.295870D+01
      5  -0.388166D+01  0.997899D+01  0.144675D+02 -0.306280D+01  0.988536D+01
      6   0.557404D+01 -0.113677D+02 -0.331536D+01  0.131524D+01 -0.125170D+01
               121           122           123           124           125 
      1  -0.570509D+01  0.449502D+01 -0.137509D+01  0.194295D+02 -0.406452D+01
      2   0.265015D+01 -0.138304D+01  0.358889D+00 -0.124074D+02  0.260993D+01
      3   0.305494D+01 -0.311198D+01  0.101620D+01 -0.702214D+01  0.145459D+01
      4   0.803375D+01 -0.399824D+01  0.268919D+01 -0.494681D+01  0.371134D+01
      5  -0.198232D+01  0.272256D+01 -0.133143D+01  0.139871D+02 -0.295332D+01
      6   0.164796D+01 -0.917612D+00  0.185189D+01 -0.250466D+01  0.179974D+01
               126 
      1   0.925504D+01
      2  -0.704197D+01
      3  -0.221307D+01
      4  -0.279598D+01
      5   0.865902D+01
      6  -0.181274D+01
 Leave Link  716 at Thu Aug 12 22:13:47 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.686703D+02 -0.201103D+01 -0.103937D+01
      2  -0.201103D+01  0.628613D+02  0.648123D+00
      3  -0.103937D+01  0.648123D+00  0.484729D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.363348D+01 -0.185430D+01 -0.171068D+02
      2   0.505930D+01  0.133668D+01  0.376353D+01
      3   0.105829D+02 -0.199817D+00  0.162397D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.127030D+01 -0.242090D+02  0.924242D+01
      2   0.153473D+01  0.390548D+02 -0.801397D+01
      3  -0.280504D+01 -0.148458D+02 -0.122845D+01
      4   0.159568D+02  0.278003D+01  0.758177D+01
      5   0.126953D+02  0.386123D+01  0.753712D+01
      6   0.692943D+01 -0.135621D+01  0.312912D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.277270D+01  0.112202D+01  0.177322D+01  0.685127D+00 -0.483041D+01
      2   0.112202D+01 -0.276988D+01  0.269976D+00 -0.483041D+01 -0.346099D+01
      3   0.177322D+01  0.269976D+00  0.164013D+01 -0.113696D+00  0.115973D+01
                 6             7             8             9            10 
      1  -0.113696D+00  0.279026D+01  0.563595D-01  0.986525D+00 -0.439014D+01
      2   0.115973D+01  0.563595D-01  0.215005D+01 -0.281151D+00  0.148557D+00
      3   0.952049D-01  0.986525D+00 -0.281151D+00 -0.687509D+01 -0.105054D+01
                11            12            13            14            15 
      1   0.148557D+00 -0.105054D+01 -0.155890D+01  0.333100D+01  0.319050D+00
      2   0.395053D+01  0.539302D-01  0.333100D+01  0.376287D+01 -0.148409D+00
      3   0.539302D-01 -0.180858D+01  0.319050D+00 -0.148409D+00  0.518047D+00
                16            17            18            19            20 
      1  -0.150153D+01 -0.277295D-01 -0.191356D+01  0.772255D+01  0.303543D+00
      2  -0.277295D-01 -0.147883D+01  0.620397D-01  0.303543D+00 -0.195802D+01
      3  -0.191356D+01  0.620397D-01  0.647067D+01 -0.141483D+01 -0.462244D+00
                21            22            23            24            25 
      1  -0.141483D+01  0.173625D+00 -0.304734D+01 -0.317120D+00 -0.184350D+01
      2  -0.462244D+00 -0.304734D+01 -0.211612D+01  0.312140D+00 -0.318256D+00
      3   0.875223D+00 -0.317120D+00  0.312140D+00 -0.584132D+00  0.845024D+00
                26            27            28            29            30 
      1  -0.318256D+00  0.845024D+00 -0.446499D+01 -0.292013D+01  0.326084D+00
      2   0.629612D+00 -0.431227D+00 -0.292013D+01 -0.241964D+00 -0.109471D+00
      3  -0.431227D+00 -0.119379D+01  0.326084D+00 -0.109471D+00  0.125768D+00
                31            32            33            34            35 
      1  -0.139803D+01  0.182548D+01 -0.940674D-01  0.851755D+00  0.268398D-01
      2   0.182548D+01 -0.816443D+01 -0.521205D+00  0.268398D-01  0.147973D+00
      3  -0.940674D-01 -0.521205D+00 -0.111957D+01  0.510719D+00 -0.188204D+01
                36            37            38            39            40 
      1   0.510719D+00 -0.211614D+01 -0.124107D+01 -0.277572D+01 -0.193282D+01
      2  -0.188204D+01 -0.124107D+01  0.793544D-01  0.442389D+00  0.214570D+01
      3  -0.279281D+00 -0.277572D+01  0.442389D+00 -0.961303D+00  0.406721D+00
                41            42            43            44            45 
      1   0.214570D+01  0.406721D+00 -0.531886D+01  0.125852D+01 -0.305061D+00
      2  -0.240466D+01 -0.925129D+00  0.125852D+01 -0.162838D+01 -0.620602D+00
      3  -0.925129D+00 -0.903462D-01 -0.305061D+00 -0.620602D+00 -0.160870D+01
                46            47            48            49            50 
      1   0.327866D+01 -0.521499D+00  0.100718D+01  0.470667D+00 -0.197306D+01
      2  -0.521499D+00 -0.896634D+00 -0.252894D+00 -0.197306D+01  0.470232D+01
      3   0.100718D+01 -0.252894D+00  0.366673D+01 -0.653898D+00  0.117620D+00
                51            52            53            54            55 
      1  -0.653898D+00  0.150359D+01 -0.633408D+00  0.360339D+01 -0.144448D+02
      2   0.117620D+00 -0.633408D+00 -0.944178D-02  0.790598D+00 -0.884774D+00
      3   0.526677D+00  0.360339D+01  0.790598D+00 -0.176571D+01  0.176710D+01
                56            57            58            59            60 
      1  -0.884774D+00  0.176710D+01 -0.108549D+01 -0.223422D+01  0.252984D+00
      2  -0.305623D+01  0.222237D+00 -0.223422D+01 -0.165734D-01  0.495597D+00
      3   0.222237D+00 -0.244444D+01  0.252984D+00  0.495597D+00  0.233140D+00
                61            62            63            64            65 
      1   0.241068D+01  0.369024D+00 -0.350965D+01  0.167408D+01  0.274548D+00
      2   0.369024D+00  0.890965D+00 -0.257653D+00  0.274548D+00 -0.334042D+00
      3  -0.350965D+01 -0.257653D+00  0.216828D+01 -0.102034D+01 -0.183437D-01
                66            67            68            69            70 
      1  -0.102034D+01  0.138388D+00 -0.363712D+00 -0.337325D-01 -0.169549D+01
      2  -0.183437D-01 -0.363712D+00  0.922605D-01 -0.112398D+01 -0.551269D-02
      3   0.142244D+01 -0.337325D-01 -0.112398D+01 -0.326541D-01  0.115232D+01
                71            72            73            74            75 
      1  -0.551269D-02  0.115232D+01  0.228963D+01  0.200001D+01 -0.514848D+00
      2  -0.159337D+01  0.398320D+00  0.200001D+01  0.249412D+01 -0.142833D+00
      3   0.398320D+00 -0.825735D+01 -0.514848D+00 -0.142833D+00  0.439722D+00
                76            77            78            79            80 
      1   0.304771D+01  0.307643D+01 -0.163253D-01 -0.117139D+01 -0.396440D+00
      2   0.307643D+01  0.705966D+01 -0.485326D+00 -0.396440D+00 -0.136442D+01
      3  -0.163253D-01 -0.485326D+00  0.949395D+00  0.513096D+00  0.110943D+01
                81            82            83            84            85 
      1   0.513096D+00 -0.646020D+00  0.149045D+00  0.887501D+00 -0.258771D+00
      2   0.110943D+01  0.149045D+00  0.203571D+00 -0.224409D+00  0.452882D+00
      3   0.213267D+00  0.887501D+00 -0.224409D+00 -0.114327D+01 -0.566237D-01
                86            87            88            89            90 
      1   0.452882D+00 -0.566237D-01  0.167695D+01 -0.220363D+00  0.406748D+00
      2   0.347556D+00  0.976019D+00 -0.220363D+00  0.122133D+01  0.631907D+00
      3   0.976019D+00 -0.273971D+00  0.406748D+00  0.631907D+00  0.849997D+01
                91            92            93            94            95 
      1   0.666382D+01  0.767971D+00 -0.225963D+00  0.929342D+00  0.111686D+01
      2   0.767971D+00  0.273526D+01  0.217312D+00  0.111686D+01 -0.818203D+00
      3  -0.225963D+00  0.217312D+00  0.677034D+00  0.125895D+00 -0.108617D+00
                96            97            98            99           100 
      1   0.125895D+00 -0.756655D+00  0.154898D+00  0.447319D+00 -0.200821D+01
      2  -0.108617D+00  0.154898D+00 -0.322949D+00 -0.561269D+00  0.766469D+00
      3  -0.516629D+00  0.447319D+00 -0.561269D+00 -0.432223D+00  0.143450D+01
               101           102           103           104           105 
      1   0.766469D+00  0.143450D+01  0.470364D+00 -0.195239D-01 -0.153876D+00
      2  -0.633854D+00 -0.437766D+00 -0.195239D-01  0.660595D+00  0.155630D+00
      3  -0.437766D+00 -0.206018D+01 -0.153876D+00  0.155630D+00 -0.162271D+00
               106           107           108           109           110 
      1   0.242881D+01 -0.490558D+00 -0.229336D+01 -0.448695D+01  0.180009D+01
      2  -0.490558D+00  0.171271D+01  0.609686D+00  0.180009D+01 -0.106114D+01
      3  -0.229336D+01  0.609686D+00  0.452045D+01 -0.218473D+01  0.811792D+00
               111           112           113           114           115 
      1  -0.218473D+01  0.165899D+01 -0.566209D+00  0.698048D+00 -0.342768D+01
      2   0.811792D+00 -0.566209D+00  0.136572D+01 -0.295088D+00  0.106111D+01
      3  -0.216328D+01  0.698048D+00 -0.295088D+00  0.736877D+00 -0.254134D+01
               116           117           118           119           120 
      1   0.106111D+01 -0.254134D+01  0.815584D+01 -0.176477D+01  0.199139D+01
      2  -0.132498D+01  0.931326D+00 -0.176477D+01  0.148892D+01 -0.369674D+00
      3   0.931326D+00 -0.281371D+01  0.199139D+01 -0.369674D+00  0.173401D+01
               121           122           123           124           125 
      1  -0.134021D+01  0.108612D+01 -0.363358D+00  0.405307D+01 -0.834485D+00
      2   0.108612D+01 -0.100998D+01  0.391019D+00 -0.834485D+00  0.969721D+00
      3  -0.363358D+00  0.391019D+00 -0.279767D+00  0.209783D+01 -0.499364D+00
               126 
      1   0.209783D+01
      2  -0.499364D+00
      3   0.135322D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.252374D+01 -0.296820D+01 -0.309859D+01 -0.356387D+01 -0.291776D+01
      2   0.444485D+01  0.376449D+00  0.269334D+01 -0.112198D+01  0.345529D+01
      3   0.309346D+01  0.564004D+01  0.121010D+01  0.784104D+01 -0.368196D+01
                 6             7             8             9            10 
      1   0.232630D-01 -0.159593D+01  0.276901D+01  0.750474D+01  0.251124D+01
      2   0.129180D+01 -0.228067D+01 -0.561792D+00 -0.750216D+01 -0.136535D+01
      3  -0.100616D+01  0.283775D+01 -0.234775D+01  0.166423D+01 -0.916879D+00
                11            12            13            14            15 
      1  -0.165340D+01 -0.319207D+00 -0.218901D+01 -0.219290D+01 -0.251856D+01
      2  -0.187523D+00  0.114838D+01  0.658603D-01  0.652994D+00  0.169195D+01
      3  -0.367538D+01 -0.984692D+00  0.112671D+01  0.186159D+01  0.977503D+00
                16            17            18            19            20 
      1   0.155938D+01  0.453596D+01 -0.240160D+01 -0.165886D+01  0.764792D+01
      2  -0.455551D+01 -0.427571D+00 -0.806056D-01 -0.268777D+01 -0.176943D+01
      3  -0.186212D+01  0.178453D+00 -0.150217D+01 -0.520804D+01  0.101769D+01
                21            22            23            24            25 
      1   0.251217D+00  0.313648D+01  0.448744D+01  0.556693D+01  0.283000D+01
      2  -0.887332D+01 -0.161305D+01 -0.761349D+00  0.451290D+00 -0.116633D+02
      3   0.130665D+01  0.288472D+01  0.379432D+00 -0.204300D+01  0.204970D+01
                26            27            28            29            30 
      1   0.168411D+02 -0.153911D+01  0.114038D+01 -0.161133D+01 -0.450745D-01
      2  -0.375782D+01  0.511653D+01 -0.187217D+01 -0.245186D+00  0.340891D+01
      3  -0.528504D+01 -0.624909D+00  0.148982D+02  0.281337D+01 -0.757541D+00
                31            32            33            34            35 
      1   0.352655D+00  0.104868D+01 -0.776630D+01 -0.730044D+00 -0.387550D+01
      2  -0.477715D+00  0.127352D+00 -0.178655D+01 -0.202218D+01  0.234823D+01
      3   0.118502D+02 -0.145662D+01 -0.107051D+00 -0.276810D+01  0.835531D+00
                36            37            38            39            40 
      1   0.315199D+00 -0.252794D+01  0.539567D+00  0.113444D+01  0.128271D+01
      2  -0.417972D+00 -0.823319D+01  0.269672D+01  0.123766D+01  0.228306D+01
      3  -0.140317D+01  0.575337D+01 -0.781879D+01 -0.178222D+00  0.297018D+00
                41            42            43            44            45 
      1  -0.100414D+01 -0.430080D+01 -0.139422D+01  0.329051D+01 -0.206692D+01
      2  -0.277659D+01 -0.140684D+01 -0.579290D+01 -0.799965D-01 -0.574401D+01
      3   0.778964D+01  0.199111D+01 -0.197777D+00  0.509224D+01  0.170272D+01
                46            47            48            49            50 
      1  -0.247468D+01  0.142697D+01 -0.815845D+01  0.248100D+01 -0.185056D+01
      2  -0.152936D+01  0.153766D+01 -0.219486D+00  0.100173D+01 -0.110998D+01
      3   0.885221D+01 -0.596622D+01  0.149692D+01  0.522317D+01 -0.770541D+00
                51            52            53            54            55 
      1  -0.591340D+01 -0.992600D+01  0.215253D+01  0.308214D+01  0.231965D+01
      2  -0.819016D+00 -0.678869D+01  0.224354D+01  0.102505D+01 -0.797773D+00
      3  -0.135338D+01  0.233375D+01 -0.206056D+01  0.981790D+01  0.957509D+01
                56            57            58            59            60 
      1  -0.332522D+01 -0.211830D+01 -0.708466D+00 -0.126437D+00 -0.378927D+01
      2  -0.684708D-01  0.122746D+02  0.873578D+00 -0.532595D+00  0.135335D+01
      3  -0.129377D+02 -0.111563D+01  0.332556D+00  0.131661D+01  0.858020D+00
                61            62            63            64            65 
      1  -0.394579D+01 -0.722787D+00  0.218735D+01  0.499263D+00 -0.101373D+00
      2   0.151761D+01  0.175351D+01 -0.422867D+01  0.125366D+01  0.301904D+00
      3  -0.942020D+00  0.410062D+01  0.282423D+01  0.120814D+01 -0.676645D+00
                66            67            68            69            70 
      1  -0.744538D+00  0.386729D+00  0.702063D+00 -0.147647D+00 -0.116043D+01
      2   0.722585D+00 -0.254874D+00 -0.190711D+00 -0.100038D+00 -0.281198D+01
      3  -0.585715D+00  0.139103D+01 -0.303327D+00 -0.263047D+00 -0.828245D+00
                71            72            73            74            75 
      1   0.245958D+01  0.490935D+01  0.150366D+01  0.133420D+01 -0.119212D+01
      2   0.385542D+00 -0.525865D-01 -0.100802D+01 -0.982993D+00  0.179440D+01
      3   0.623031D+00  0.385595D+00  0.370566D+00 -0.262237D+01 -0.403128D+00
                76            77            78            79            80 
      1   0.991740D+00  0.305631D+01 -0.360344D+01 -0.433487D+00 -0.990430D+00
      2  -0.554243D+00 -0.133958D+01  0.217937D+01 -0.313109D-01  0.142463D+01
      3   0.279390D+01 -0.741168D+01  0.777895D+00 -0.172073D+01  0.157701D+01
                81            82            83            84            85 
      1   0.309745D+00 -0.766519D+00 -0.113882D+00  0.841502D+00  0.295934D+00
      2  -0.190479D+00  0.206850D+01 -0.492114D+00 -0.879897D+00  0.248247D+00
      3  -0.883033D+00 -0.130826D+01 -0.773236D+00  0.917741D+00  0.299670D+00
                86            87            88            89            90 
      1  -0.801734D+00  0.252736D+00 -0.408237D+00  0.322413D+01 -0.794972D+01
      2   0.103430D+01 -0.240539D+00 -0.399199D+01  0.130881D+01  0.108242D+02
      3   0.379815D+00 -0.109859D+01  0.176604D+01 -0.164431D+01 -0.935433D+00
                91            92            93            94            95 
      1  -0.114622D+01 -0.257878D+00  0.215661D+01  0.170671D-01 -0.117183D+00
      2   0.288536D+01  0.899141D+00 -0.840461D+00  0.759935D+00  0.256831D+00
      3  -0.212631D+02 -0.283756D+01  0.453463D+00 -0.335060D+01 -0.798106D+00
                96            97            98            99           100 
      1   0.155717D+00  0.160270D+01  0.760946D+00 -0.447048D+00 -0.335078D+01
      2  -0.107896D+01 -0.232796D+01 -0.297676D+00 -0.300976D+00 -0.726194D+00
      3  -0.224564D+00  0.169641D+01 -0.278337D+00 -0.609045D+00 -0.400276D+01
               101           102           103           104           105 
      1   0.183495D+00  0.510538D+01  0.234562D+00 -0.110308D+01  0.576298D-01
      2   0.807779D+00  0.299848D+01  0.676480D+00  0.376182D+00  0.241878D-01
      3  -0.536476D+00  0.305857D+01  0.674186D+00 -0.142931D+00 -0.171398D+00
               106           107           108           109           110 
      1   0.592473D+01  0.792524D+00 -0.100680D+02  0.453960D+01 -0.100764D+01
      2   0.635337D+00 -0.103208D+01 -0.461130D+01  0.848270D+00 -0.968340D+00
      3   0.551848D+01  0.108310D+01 -0.524065D+01 -0.887277D+01  0.815060D+00
               111           112           113           114           115 
      1   0.506108D+01 -0.179498D+01  0.367182D+00 -0.157518D+01  0.541232D+01
      2   0.304497D+01 -0.670174D+00 -0.774280D-01 -0.718457D+00  0.866571D+00
      3  -0.426474D+01  0.342554D+01 -0.253996D+00  0.162444D+01 -0.706089D+01
               116           117           118           119           120 
      1  -0.202495D+00  0.571130D+01  0.193495D+01 -0.932311D-01  0.112604D+01
      2  -0.884944D+00  0.264990D+01  0.619909D+01 -0.158180D+01  0.572655D+01
      3   0.522157D+00 -0.514754D+01 -0.117334D+01 -0.387437D+01 -0.477357D+00
               121           122           123           124           125 
      1  -0.402436D+00  0.128325D+00 -0.678408D+00  0.125917D+01  0.397561D+00
      2  -0.121685D+01  0.885285D+00 -0.841538D+00  0.490876D+01 -0.141607D+01
      3  -0.450972D+00  0.208576D+01 -0.481896D+00 -0.822229D+00 -0.239616D+01
               126 
      1   0.776135D+00
      2   0.403322D+01
      3  -0.487198D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.154736D+01  0.123505D+01  0.154505D+01  0.116257D+02 -0.512116D+01
      2  -0.262313D+01 -0.203834D+01 -0.368941D+01 -0.147266D+02 -0.105823D+02
      3   0.417049D+01  0.803295D+00  0.214435D+01  0.310088D+01  0.157035D+02
      4   0.499544D+01 -0.109361D+02  0.452171D+01 -0.175541D+02 -0.185009D+02
      5   0.828404D+01  0.706669D+00  0.170216D+01 -0.316230D+01  0.299852D+01
      6   0.408297D+01  0.118556D+01  0.560905D+01  0.138407D+00 -0.130229D+00
                 6             7             8             9            10 
      1  -0.120225D+01  0.622930D+01 -0.475508D+00  0.122768D+02 -0.472059D+01
      2   0.404115D+01 -0.257678D+01  0.322107D+01  0.629447D+01  0.603310D+01
      3  -0.283890D+01 -0.365252D+01 -0.274556D+01 -0.185713D+02 -0.131251D+01
      4   0.326958D+01  0.234256D+01  0.587540D+01  0.349122D+00  0.133111D+00
      5   0.365037D+01  0.266884D+01  0.438569D+00 -0.126473D+02 -0.329713D+01
      6  -0.158406D+01  0.267676D+01  0.108622D+01 -0.881784D+01 -0.337164D+01
                11            12            13            14            15 
      1  -0.820356D+01 -0.343942D+01  0.111904D+01  0.194916D+01  0.858342D+00
      2   0.144897D+02  0.105350D+01  0.275504D+01 -0.255316D+01  0.331005D+00
      3  -0.628613D+01  0.238592D+01 -0.387408D+01  0.604006D+00 -0.118935D+01
      4  -0.139983D+01 -0.289271D+01 -0.177640D+01  0.468820D+01  0.169852D+00
      5  -0.734443D+00 -0.203230D+01  0.783797D+00  0.725008D+00  0.288733D+01
      6  -0.581875D+00  0.202738D+00  0.541157D+00  0.157882D+01 -0.345653D+00
                16            17            18            19            20 
      1  -0.520241D+01  0.142138D+01  0.835857D+01 -0.330340D+02 -0.829427D+01
      2  -0.765079D+00 -0.581453D+01  0.775301D+01  0.185167D+02  0.694769D+01
      3   0.596748D+01  0.439315D+01 -0.161116D+02  0.145173D+02  0.134658D+01
      4  -0.387935D+01 -0.109999D+01 -0.374655D+01 -0.119457D+02 -0.130095D+02
      5  -0.566235D+00 -0.157382D+01  0.495426D+01  0.620166D+01  0.396438D+00
      6  -0.430421D+01  0.227220D+00  0.706564D+01  0.283699D+01  0.210903D+01
                21            22            23            24            25 
      1   0.250440D+00 -0.147089D+01  0.100353D+02  0.613101D+00  0.842172D+01
      2  -0.497111D+01  0.255224D+01 -0.149687D+02 -0.178744D+01 -0.578253D+01
      3   0.472067D+01 -0.108135D+01  0.493339D+01  0.117434D+01 -0.263919D+01
      4   0.256117D+01 -0.216917D+01  0.783938D+01 -0.137861D+01  0.470470D+01
      5  -0.136804D+02 -0.572962D+00 -0.152082D+01  0.204414D+01  0.147498D+01
      6   0.151922D+01 -0.141894D+01 -0.346119D+01 -0.706670D+01 -0.156804D+01
                26            27            28            29            30 
      1  -0.120053D+01 -0.752200D+01 -0.212458D+01 -0.618992D+00 -0.827779D+00
      2   0.303437D+00 -0.343297D+01  0.696737D+01 -0.434995D+00  0.956829D+00
      3   0.897088D+00  0.109550D+02 -0.484280D+01  0.105399D+01 -0.129050D+00
      4   0.484100D+01 -0.862068D+00  0.563078D+01  0.158692D+02 -0.760224D+00
      5  -0.120236D+01  0.755133D+01 -0.402740D+00  0.708600D-01  0.614324D+01
      6   0.185236D+01  0.186867D+01 -0.173720D+01 -0.331276D+00 -0.156060D+01
                31            32            33            34            35 
      1  -0.869263D+00 -0.280888D+02 -0.195687D+01  0.143505D+00  0.207985D+00
      2  -0.183837D+01  0.410874D+02  0.157631D+01  0.659474D+00  0.165129D+00
      3   0.270764D+01 -0.129986D+02  0.380568D+00 -0.802979D+00 -0.373113D+00
      4   0.106649D+02 -0.500178D+00  0.133322D+01 -0.163989D+01 -0.740711D+00
      5   0.536169D+00  0.157738D+01 -0.189167D+01  0.339007D+01  0.137343D+01
      6   0.975365D+00  0.444382D+01  0.148019D+02 -0.209448D+01  0.129318D+02
                36            37            38            39            40 
      1  -0.851451D+01 -0.330441D+01 -0.327613D+00 -0.130127D+02 -0.850173D+01
      2   0.506930D+01  0.989347D+00 -0.232409D+01  0.886228D+01  0.589423D+01
      3   0.344522D+01  0.231507D+01  0.265170D+01  0.415043D+01  0.260750D+01
      4   0.608326D+00 -0.608868D+00  0.651404D+01  0.286036D+01  0.102947D+02
      5   0.161134D+00 -0.174974D+02  0.344898D+01  0.275244D+01  0.363304D+01
      6   0.144817D+01  0.235645D+01 -0.104516D+01 -0.134545D+01 -0.119440D+01
                41            42            43            44            45 
      1   0.488655D+00  0.112877D+01 -0.254603D+02  0.454657D+01 -0.532618D+01
      2   0.703898D+01 -0.158637D+01  0.154997D+02 -0.129493D+01 -0.186109D+01
      3  -0.752763D+01  0.457602D+00  0.996056D+01 -0.325164D+01  0.718727D+01
      4  -0.753016D+01 -0.402861D+01  0.644903D+01 -0.581218D+01 -0.119710D+01
      5  -0.479959D+01 -0.331088D+01  0.168726D+01 -0.294225D+01 -0.113726D+02
      6   0.884448D+00  0.587263D+01  0.860084D+00  0.360233D+01  0.280581D+01
                46            47            48            49            50 
      1  -0.219493D+01  0.800633D+01 -0.108904D+01  0.278462D+01 -0.133958D+02
      2   0.378786D+01 -0.125544D+02 -0.164893D+01 -0.662565D+01  0.271315D+02
      3  -0.159293D+01  0.454804D+01  0.273797D+01  0.384102D+01 -0.137357D+02
      4   0.129223D+02  0.351636D+01  0.365251D+01  0.947851D+01 -0.151045D+02
      5  -0.397747D+01  0.247664D+01 -0.723398D+01  0.139007D+01 -0.103769D+01
      6   0.481904D+01 -0.197926D+01  0.133530D+02 -0.312856D+01 -0.296134D+00
                51            52            53            54            55 
      1   0.134446D+01  0.200956D+00  0.820625D+00 -0.121900D+02  0.671889D+02
      2   0.646370D+00 -0.249663D+01  0.118433D+01  0.987158D+01 -0.400030D+02
      3  -0.199083D+01  0.229567D+01 -0.200496D+01  0.231839D+01 -0.271859D+02
      4  -0.281525D+01  0.469360D+01 -0.230392D+01  0.127731D+02  0.223628D+02
      5  -0.232481D+01 -0.714169D+01  0.296341D+01  0.209866D+01 -0.893764D+01
      6   0.725784D+01  0.155320D+02  0.885611D+01 -0.454137D+01 -0.246539D+01
                56            57            58            59            60 
      1   0.370659D+01 -0.398022D+01  0.237563D+01  0.349995D+01  0.430527D+00
      2   0.144481D+01  0.606563D+01  0.114450D+01  0.302123D+01 -0.180299D+00
      3  -0.515140D+01 -0.208540D+01 -0.352013D+01 -0.652117D+01 -0.250228D+00
      4   0.192357D+02 -0.221273D+01  0.163685D+02  0.604087D+01 -0.216990D+01
      5  -0.748755D+00  0.209973D+02 -0.235178D+00 -0.184890D+01  0.138856D+01
      6  -0.660928D+00  0.350976D+01 -0.149034D+01 -0.975914D+00  0.568798D+01
                61            62            63            64            65 
      1  -0.665273D+01  0.720368D+00  0.814665D+01  0.912129D-01  0.645516D+00
      2   0.692724D+01 -0.385990D+00 -0.103889D+02 -0.407382D+01 -0.640139D+00
      3  -0.274506D+00 -0.334378D+00  0.224227D+01  0.398261D+01 -0.537690D-02
      4  -0.262971D+01 -0.385539D+01  0.545059D+01  0.132972D+01  0.218943D+01
      5   0.195937D+02  0.225712D+01 -0.106392D+02 -0.165085D+01  0.125744D+00
      6   0.647052D+01  0.576453D+01 -0.378214D+01 -0.107913D+01 -0.895224D+00
                66            67            68            69            70 
      1   0.145268D+01  0.775299D-01 -0.329567D+01  0.539565D+00  0.159626D+01
      2   0.181037D+01  0.510586D+00  0.100320D+01 -0.220099D+01  0.303856D+01
      3  -0.326306D+01 -0.588116D+00  0.229247D+01  0.166143D+01 -0.463482D+01
      4  -0.957687D+00  0.234164D+01  0.555176D+00 -0.385141D+00 -0.123775D+01
      5   0.708294D+01  0.148846D+00 -0.112359D+01 -0.236114D+00  0.479179D+01
      6   0.144933D+01 -0.103294D+01 -0.143500D+01  0.570148D+01  0.194408D+01
                71            72            73            74            75 
      1   0.244470D+01 -0.172551D+02  0.740972D+01  0.399624D+01 -0.139655D+01
      2  -0.133052D+01 -0.149824D+02  0.128886D+01  0.358196D+01  0.115104D-01
      3  -0.111418D+01  0.322376D+02 -0.869858D+01 -0.757820D+01  0.138504D+01
      4   0.731509D+00  0.129775D+01  0.133141D+02  0.159806D+02 -0.143039D+01
      5   0.507110D+00 -0.479742D+01 -0.751676D+00  0.461665D-01  0.274765D+01
      6   0.516471D+01 -0.101593D+02 -0.602336D+00  0.285814D+00  0.163867D+01
                76            77            78            79            80 
      1   0.402940D+01 -0.575866D+01  0.412967D+00 -0.262585D+01  0.627192D+00
      2   0.567367D+01  0.232064D+02 -0.232945D+01  0.297726D+00 -0.338140D+01
      3  -0.970307D+01 -0.174477D+02  0.191648D+01  0.232812D+01  0.275421D+01
      4   0.188378D+02  0.306345D+02 -0.186324D+01 -0.343816D+01 -0.517784D+01
      5   0.741374D+00 -0.537708D+00  0.356700D+01  0.302333D+01  0.419162D+01
      6   0.969361D+00  0.837319D+00  0.469636D+01  0.223863D+01  0.516073D+01
                81            82            83            84            85 
      1  -0.238863D+01 -0.173817D+01  0.682391D+00  0.472403D+01 -0.173980D+01
      2   0.118239D+01 -0.113316D+01  0.605658D+00 -0.967917D+00  0.211801D+01
      3   0.120624D+01  0.287133D+01 -0.128805D+01 -0.375611D+01 -0.378213D+00
      4   0.477640D+01 -0.876894D-01  0.274008D+01  0.640608D+00  0.278591D+01
      5  -0.406439D+00  0.104430D+01  0.326852D-01  0.344867D+01 -0.145365D+00
      6  -0.784041D+00  0.866831D+00 -0.108517D+01 -0.205662D+01  0.192168D+00
                86            87            88            89            90 
      1  -0.209581D+01 -0.100284D+01  0.460140D+01 -0.323689D+01 -0.185602D+02
      2   0.628204D+00  0.194949D+01 -0.317618D+01  0.183276D+01 -0.141175D+02
      3   0.146761D+01 -0.946657D+00 -0.142522D+01  0.140414D+01  0.326777D+02
      4   0.197290D+01  0.194989D+01  0.166603D+01  0.255061D+01  0.252247D+01
      5   0.182971D+01 -0.116815D+01  0.585410D+01  0.152602D+01  0.188743D+02
      6   0.133202D+01  0.502168D+01  0.366039D+00  0.542984D+01  0.115432D+02
                91            92            93            94            95 
      1   0.386087D+01  0.935009D+01  0.141703D+01  0.205897D+01  0.624700D+00
      2  -0.373533D+01 -0.112431D+02 -0.717698D+00 -0.394519D+01  0.711964D+00
      3  -0.125542D+00  0.189298D+01 -0.699328D+00  0.188623D+01 -0.133666D+01
      4  -0.121072D+02 -0.978745D+00  0.132473D+01  0.726435D+00 -0.517411D+01
      5   0.385925D+00  0.477162D+00 -0.137500D+01  0.596373D+00 -0.567322D-01
      6   0.223074D+01 -0.103714D+01 -0.345780D+01 -0.277381D+00  0.306923D+00
                96            97            98            99           100 
      1   0.280822D+00  0.192296D-01 -0.544510D+00 -0.129388D+01  0.538590D+01
      2   0.711405D-01  0.958814D-01  0.556797D+00 -0.892323D-01 -0.268153D+01
      3  -0.351963D+00 -0.115111D+00 -0.122864D-01  0.138311D+01 -0.270437D+01
      4  -0.369963D+00  0.184251D+01 -0.102966D+00 -0.140133D+01 -0.881685D+01
      5  -0.199885D+01  0.139341D+01 -0.381789D+00 -0.916073D+00 -0.548908D+01
      6   0.463846D+00 -0.183130D+01  0.252806D+01  0.109944D+01  0.524249D+01
               101           102           103           104           105 
      1  -0.124398D+01 -0.248100D+01 -0.195205D+01 -0.238405D+01  0.602180D+00
      2  -0.128436D+00  0.212924D+01  0.138693D+01  0.377960D+01  0.624349D+00
      3   0.137241D+01  0.351761D+00  0.565125D+00 -0.139555D+01 -0.122653D+01
      4   0.561076D+01  0.537857D+01  0.257004D+01 -0.837861D-01 -0.160290D+01
      5   0.155945D+01  0.821353D+01  0.398632D+00 -0.101086D+01 -0.376000D-01
      6  -0.191530D+01 -0.844452D+01 -0.134218D+01 -0.228611D+00  0.156032D+01
               106           107           108           109           110 
      1  -0.389816D+01 -0.277025D+01  0.959016D+00  0.107857D+02 -0.263317D+01
      2   0.425387D+01  0.449017D+01 -0.656337D+01 -0.359632D+01 -0.880173D+00
      3  -0.355710D+00 -0.171992D+01  0.560435D+01 -0.718935D+01  0.351334D+01
      4   0.802975D+01 -0.379813D+01 -0.791583D+01 -0.190096D+02  0.106437D+02
      5   0.796432D+01 -0.233311D+01 -0.125380D+02  0.105812D+02 -0.414667D+01
      6  -0.887295D+01  0.288355D+01  0.160823D+02 -0.986447D+01  0.463569D+01
               111           112           113           114           115 
      1   0.418247D+01 -0.249136D+01 -0.286031D+01 -0.110576D+01  0.389043D+01
      2  -0.187371D+01 -0.230967D+00  0.569372D+01 -0.649990D+00 -0.287496D+01
      3  -0.230876D+01  0.272232D+01 -0.283341D+01  0.175575D+01 -0.101547D+01
      4  -0.907910D+01  0.806772D+01 -0.285019D+01  0.416251D+01 -0.119565D+02
      5   0.982134D+01 -0.213017D+01  0.208272D+01 -0.123790D+01  0.105493D+02
      6  -0.916512D+01  0.438095D+01 -0.129055D+01  0.455344D+01 -0.109235D+02
               116           117           118           119           120 
      1   0.107130D+01  0.173909D+01  0.455021D+02 -0.898199D+01  0.112692D+02
      2  -0.258833D+01 -0.400851D+01 -0.255171D+02  0.451449D+01 -0.632767D+01
      3   0.151703D+01  0.226942D+01 -0.199850D+02  0.446750D+01 -0.494152D+01
      4   0.518127D+01 -0.985891D+01 -0.101235D+02  0.688565D+01 -0.295870D+01
      5  -0.388166D+01  0.997899D+01  0.144675D+02 -0.306280D+01  0.988536D+01
      6   0.557404D+01 -0.113677D+02 -0.331536D+01  0.131524D+01 -0.125170D+01
               121           122           123           124           125 
      1  -0.570509D+01  0.449502D+01 -0.137509D+01  0.194295D+02 -0.406452D+01
      2   0.265015D+01 -0.138304D+01  0.358889D+00 -0.124074D+02  0.260993D+01
      3   0.305494D+01 -0.311198D+01  0.101620D+01 -0.702214D+01  0.145459D+01
      4   0.803375D+01 -0.399824D+01  0.268919D+01 -0.494681D+01  0.371134D+01
      5  -0.198232D+01  0.272256D+01 -0.133143D+01  0.139871D+02 -0.295332D+01
      6   0.164796D+01 -0.917612D+00  0.185189D+01 -0.250466D+01  0.179974D+01
               126 
      1   0.925504D+01
      2  -0.704197D+01
      3  -0.221307D+01
      4  -0.279598D+01
      5   0.865902D+01
      6  -0.181274D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.154871D+01      0.393643D+01      0.131305D+02
   y          0.643250D+00      0.163498D+01      0.545370D+01
   z          0.130228D+00      0.331007D+00      0.110412D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.632193D+02      0.936814D+01      0.104235D+02
   yx        -0.258434D+01     -0.382959D+00     -0.426099D+00
   yy         0.562968D+02      0.834233D+01      0.928209D+01
   zx        -0.722744D+00     -0.107100D+00     -0.119164D+00
   zy         0.651251D+00      0.965054D-01      0.107377D+00
   zz         0.440969D+02      0.653448D+01      0.727059D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.600015D+02      0.889131D+01      0.989291D+01
   aniso      0.184658D+02      0.273635D+01      0.304460D+01
   xx         0.686703D+02      0.101759D+02      0.113222D+02
   yx        -0.201103D+01     -0.298004D+00     -0.331575D+00
   yy         0.628613D+02      0.931508D+01      0.103644D+02
   zx        -0.103937D+01     -0.154019D+00     -0.171370D+00
   zy         0.648123D+00      0.960420D-01      0.106861D+00
   zz         0.484729D+02      0.718295D+01      0.799211D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.54354721          0.10789743          2.81323632
     6          0.20027468          1.35873309          0.31343411
     6          0.08798134         -0.48685048         -1.94270076
     8          1.23434714         -2.72438941         -1.60337706
     8          1.27950892         -1.82280845          3.38001315
     7         -1.32574102          3.60760059         -0.04667247
     8         -0.92916588          0.03841745         -3.90150443
     1          2.17943380          1.92969780          0.51026694
     1         -0.54471018          1.55745160          4.27791968
     1         -2.44299371         -0.70225701          2.67219370
     1          1.73880016         -2.88813589          0.16930590
     1         -2.99679917          3.12300562         -0.85395043
     1         -0.47934174          4.76969363         -1.30899538
     1          0.68001989         -2.85109160          4.75510032

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.168203D+01      0.427530D+01      0.142609D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.168203D+01      0.427530D+01      0.142609D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.545377D+02      0.808165D+01      0.899205D+01
   aniso      0.174382D+02      0.258407D+01      0.287517D+01
   xx         0.473045D+02      0.700980D+01      0.779945D+01
   yx        -0.612553D+01     -0.907710D+00     -0.100996D+01
   yy         0.561007D+02      0.831326D+01      0.924975D+01
   zx         0.315031D+01      0.466828D+00      0.519416D+00
   zy        -0.323421D+01     -0.479260D+00     -0.533249D+00
   zz         0.602079D+02      0.892189D+01      0.992694D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.600015D+02      0.889131D+01      0.989291D+01
   aniso      0.184658D+02      0.273635D+01      0.304460D+01
   xx         0.520056D+02      0.770644D+01      0.857457D+01
   yx        -0.671904D+01     -0.995659D+00     -0.110782D+01
   yy         0.618252D+02      0.916155D+01      0.101936D+02
   zx         0.322638D+01      0.478101D+00      0.531959D+00
   zy        -0.233006D+01     -0.345280D+00     -0.384175D+00
   zz         0.661737D+02      0.980592D+01      0.109106D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-14\Freq\RwB97XD\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.29073,0.7
 12663,0.358259\C,-0.059673,0.650207,-0.359706\C,-0.852428,-0.63102,-0.
 023937\O,-0.170827,-1.783936,-0.115771\O,2.106421,-0.370921,-0.116056\
 N,-0.796184,1.869755,-0.086038\O,-2.012397,-0.611288,0.285099\H,0.1607
 38,0.608893,-1.4315\H,1.753555,1.672222,0.125488\H,1.147859,0.642089,1
 .441905\H,0.778104,-1.587327,-0.255792\H,-1.294207,1.773751,0.79315\H,
 -1.516728,1.999402,-0.785323\H,2.886618,-0.459251,0.440467\\Version=ES
 64L-G16RevA.03\State=1-A\HF=-399.1506876\RMSD=8.545e-09\RMSF=9.239e-06
 \ZeroPoint=0.112992\Thermal=0.1208934\Dipole=1.5487097,0.6432498,0.130
 2283\DipoleDeriv=0.490109,-0.221624,-0.1151438,-0.2540244,0.5223843,0.
 0690672,-0.0920001,0.0979429,0.3471592,0.1846346,-0.2639407,0.0316686,
 -0.1822011,0.2825998,0.0019904,0.0147883,0.0990272,0.1533554,1.5498184
 ,-0.2482888,-0.2928444,-0.2645363,1.2619486,0.0003002,-0.391718,-0.052
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 TOM, TOM, THE BURGLAR'S SON
 STOLE A MACHINE AND AWAY HE RUN
 THE JOB WAS NEAT, BUT TOM GOT BEAT
 BY THE TIME HE GOT HOME IT WAS OBSOLETE.
 Job cpu time:       0 days  1 hours 21 minutes  2.8 seconds.
 Elapsed time:       0 days  0 hours 10 minutes 10.5 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:13:47 2021.
